data_2dag_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 2dag _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.63 110.87 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 11' ' ' SER . 17.4 pt-20 -73.96 -37.81 64.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -44.23 -41.6 5.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.64 -48.74 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 26' ' ' CYS . 13.3 mt -54.69 -53.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -44.44 -58.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.4 mt-30 -45.27 -65.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -46.12 -50.02 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.82 -33.31 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.6 mt-10 -72.87 -29.03 62.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.5 mtm -71.43 -18.64 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.55 52.72 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -133.19 157.99 76.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.0 124.76 8.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -42.34 -62.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' MET . 79.6 m-20 -40.2 -59.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -52.22 -44.62 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.416 ' CB ' HG21 ' A' ' 13' ' ' ILE . 99.3 m -60.6 -38.75 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.25 -18.9 60.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 25.1 mtmt -75.66 -49.8 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.86 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.9 t -42.82 -56.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -48.33 -70.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.3 m-85 -45.01 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 p -58.25 -23.44 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 76.42 39.26 31.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' GLY . 29.7 t-20 50.86 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -148.39 46.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.03 166.63 40.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.19 -52.23 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.91 -54.37 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.85 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.73 -55.56 16.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' VAL . 3.5 mtt -46.55 -54.97 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -42.28 -58.6 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 32' ' ' TYR . 71.8 t90 -47.22 -41.58 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 108.034 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 54' ' ' PHE . 12.0 t -68.16 -49.57 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -56.07 -25.07 43.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -47.33 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -63.57 -55.13 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.431 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 24.3 ptm -40.37 -28.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 19.0 t0 -50.39 -32.64 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.4 153.27 38.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -9.4 20.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.9 27.38 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 3.7 t80 -89.03 -50.51 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -40.55 155.96 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 112.48 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 11.0 pt-20 -70.89 -46.86 61.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -42.16 -38.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.001 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -71.92 -45.64 63.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 12.5 mt -57.71 -50.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -48.53 -49.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.0 -61.72 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.54 -51.71 45.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.69 -37.78 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.87 -41.06 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mtm -62.81 -16.61 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.25 52.48 0.77 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -128.4 158.73 70.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 123.84 8.16 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -46.77 -61.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.26 -55.64 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -59.06 -41.07 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' MET . 33.9 m -60.87 -41.56 96.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -71.34 -21.12 62.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 56' ' ' ASN . 24.4 mtmt -73.37 -48.75 31.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB3' ' CE3' ' A' ' 44' ' ' TRP . . . -55.04 -67.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 34' ' ' GLY . 84.7 t -43.79 -53.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -50.99 -71.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.679 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -44.54 -57.06 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.6 p -58.73 -25.71 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.29 46.04 9.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 47.52 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -143.79 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 166.7 31.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.89 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -45.9 -58.95 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -52.33 -62.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.01 -51.75 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -43.29 -53.43 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -41.56 -56.84 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.8 t90 -48.19 -44.7 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' MET . 48.4 t -66.4 -48.2 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -49.97 -25.47 3.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -92.31 -53.52 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -56.84 -47.48 80.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.524 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 3.8 ptt? -44.74 -25.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -88.85 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.95 152.59 11.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -12.56 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 m-20 -92.48 28.19 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 26.1 t80 -95.49 -42.21 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.91 19.2 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.447 ' OD1' ' NZ ' ' A' ' 28' ' ' LYS . 42.6 p-10 -92.18 157.22 41.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 1.1 m-20 -119.68 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.02 -43.13 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -42.93 -35.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.54 -53.41 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mt -50.69 -50.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.89 -53.21 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.61 -60.86 2.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.39 -50.15 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.13 -36.8 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -26.74 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.7 mtt -78.13 -13.16 59.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.46 49.66 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -125.5 157.77 66.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 131.25 14.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' ARG . 6.5 mtp -46.61 -63.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.4 m-20 -40.4 -64.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . . . -47.96 -46.71 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 m -58.04 -41.81 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' MET . 10.1 mtp180 -66.86 -34.88 78.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.4 mtmt -57.9 -50.9 71.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.16 -70.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -40.29 -55.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' GLY . 26.9 t80 -48.95 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 23.0 m-85 -48.99 -37.58 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' GLY . 26.8 p -89.42 21.02 3.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.09 46.26 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 9' ' ' ASP . 21.7 t-20 40.64 67.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.54 -40.11 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.17 156.39 9.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.66 -61.55 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.12 -57.76 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.8 -62.36 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.27 -51.35 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.4 ttp -37.94 -55.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.26 -52.1 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 40.2 t90 -52.8 -42.87 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.047 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.497 HG11 ' CZ ' ' A' ' 54' ' ' PHE . 43.0 t -65.1 -48.77 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 mmt -59.07 -20.87 57.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.87 -24.99 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.785 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.7 m-70 -91.95 -62.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -41.39 -27.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -49.65 -23.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.32 157.87 48.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -4.67 15.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.22 28.0 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' ALA . 6.1 t80 -97.67 -43.32 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.41 69.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -40.52 157.36 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.1 127.48 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.3 pt-20 -80.59 -38.51 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.2 t -47.98 -37.17 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.6 -40.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.3 mt -63.8 -52.17 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -46.27 -52.27 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.92 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -48.26 -51.77 24.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.6 t -56.83 -38.14 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.68 -37.57 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mtm -66.81 -19.02 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.76 55.08 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -130.94 158.37 75.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.04 134.11 17.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -48.32 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -39.8 -59.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -49.23 -45.25 44.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' MET . 68.8 m -62.38 -56.3 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -53.64 -34.49 58.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -59.19 -57.01 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB3' ' CE3' ' A' ' 44' ' ' TRP . . . -49.55 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.436 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 47.9 t -43.01 -59.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' GLY . 33.0 t80 -47.85 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.657 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 18.2 m-85 -48.29 -41.95 29.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -89.46 20.22 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.39 46.36 1.43 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLY . 30.6 t30 40.24 85.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -124.46 47.03 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.0 169.41 35.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.37 -54.34 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -59.43 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.25 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.64 -56.47 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -39.22 -57.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -41.33 -57.61 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 32.0 t90 -46.59 -44.87 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 108.015 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 59.8 t -67.54 -56.9 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -37.94 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.3 m -92.2 -58.12 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.6 m-70 -49.03 -39.35 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.507 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -57.9 -15.72 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.71 42.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.8 152.7 16.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.63 20.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 16.7 p-10 -92.61 28.22 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.507 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 26.8 t80 -85.57 -49.85 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.05 72.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m-20 -40.97 157.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.93 111.64 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 15.8 pt-20 -64.37 -38.04 89.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -46.58 -38.63 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.57 -45.98 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 7.5 mt -58.25 -49.67 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 mp -49.58 -55.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -48.65 -57.38 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.99 -49.53 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 23' ' ' MET . 92.5 t -59.73 -32.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.7 mm-40 -63.5 -41.6 98.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -26.41 67.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.17 57.91 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.41 161.34 61.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.91 13.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.457 ' HG2' ' CG2' ' A' ' 17' ' ' VAL . 12.4 mtp -52.85 -55.67 21.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -55.71 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -60.76 -38.68 86.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 23' ' ' MET . 93.7 m -61.94 -38.21 87.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.8 -18.85 59.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 26.6 mtmt -77.22 -50.51 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.563 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -55.16 -65.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.6 t -40.49 -55.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 34' ' ' GLY . 37.7 t80 -51.96 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.3 m-85 -50.85 -21.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ASN . 36.6 p -108.67 26.49 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.06 31.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' THR . 20.1 t30 50.61 66.56 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.59 -47.87 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.14 162.06 26.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.82 -58.32 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -60.45 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.88 -51.78 48.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.78 -55.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.12 -55.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 32.2 t90 -49.7 -44.63 48.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 48.1 t -65.43 -51.1 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 mmt -49.0 -26.14 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -88.79 -64.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.2 m-70 -47.44 -43.48 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.573 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -53.02 -19.17 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 47' ' ' SER . 22.4 t0 -60.48 -30.26 69.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 148.26 34.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.99 19.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.73 27.82 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 10.7 t80 -93.27 -27.87 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 6.31 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -78.55 171.55 12.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -130.35 92.42 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -47.58 34.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -39.88 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -71.83 -45.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.12 -51.08 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.6 mp -47.65 -48.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.08 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 16.4 mt -48.34 -50.65 29.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.95 -34.89 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -62.01 -34.07 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.3 mtp -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.25 56.21 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.39 156.09 80.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 118.26 5.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -37.91 -62.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.3 m-20 -40.35 -59.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.569 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.69 -45.3 66.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.1 m -59.55 -39.1 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 108.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -74.36 -21.61 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.511 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.9 mtmt -72.77 -49.64 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -55.03 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 58.8 t -39.71 -54.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -51.36 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -57.4 -54.19 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 32.3 p -58.44 -24.95 61.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.39 46.77 8.66 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 40.7 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.44 37.77 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.5 172.11 30.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.25 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.77 -52.18 43.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.95 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.47 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 56.4 mtt -40.79 -54.65 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -41.07 -60.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.5 t90 -45.15 -42.68 9.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG1' ' CZ ' ' A' ' 54' ' ' PHE . 9.8 t -67.26 -48.9 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -58.73 -20.02 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.3 -51.11 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.2 m-70 -59.89 -53.14 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.445 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 23.2 ptm -41.64 -27.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -49.73 -31.58 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 154.71 40.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -6.82 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.34 28.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.6 t80 -94.68 -25.79 16.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 12.23 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.56 157.33 74.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.82 112.57 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' SER . 14.3 pt-20 -67.89 -38.57 83.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -47.45 -39.94 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -68.79 -45.29 81.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.23 -52.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -47.03 -54.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.41 -55.82 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.15 -49.19 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.2 t -58.25 -41.13 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.1 -37.14 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.9 mtt -66.44 -12.84 59.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.35 36.56 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -111.86 156.24 41.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 124.72 8.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -47.52 -60.62 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 2.1 m-20 -40.29 -55.78 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -60.52 -45.51 93.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 m -56.61 -32.07 64.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.9 mtp180 -78.32 -21.23 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.3 mtmp? -74.47 -50.03 19.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.598 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -54.11 -68.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 35' ' ' ASN . 54.1 t -40.99 -57.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -47.82 -68.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 21.0 m-85 -48.48 -37.52 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 35' ' ' ASN . 27.2 p -90.38 24.08 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.81 33.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 18.2 t30 47.22 87.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.76 57.84 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.6 164.92 40.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.14 -54.93 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.24 -61.93 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.43 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.07 -54.71 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.1 ttm -38.29 -56.71 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -40.81 -54.5 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.775 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 40.1 t90 -50.47 -47.27 57.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' MET . 62.8 t -61.79 -40.61 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.97 -25.44 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -90.14 -21.16 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.775 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 m-70 -91.91 -56.66 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.4 ptm -41.59 -27.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' HIS . 1.4 t0 -53.43 -38.33 63.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.72 151.96 38.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.65 11.51 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 13.2 m-20 -93.68 25.58 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 7.8 t80 -96.61 -48.19 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.12 67.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 45.6 p-10 -44.68 157.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.95 104.73 10.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.2 pt-20 -72.25 -38.02 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -42.16 -38.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.87 -56.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -48.58 -46.47 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -53.12 -54.26 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.84 -60.75 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 12.5 mt -48.23 -47.71 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 14.8 t -62.2 -39.01 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.32 -32.98 74.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 87.5 mtp -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.62 61.17 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.38 161.99 47.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' CYS . 10.9 ttm -46.19 -63.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 85.6 m-20 -39.99 -55.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -57.41 -43.3 83.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' MET . 50.9 m -59.26 -41.41 88.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -31.25 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -61.33 -51.92 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.475 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -54.54 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 98.2 t -39.97 -55.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.0 m-85 -51.18 -36.41 41.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' GLY . 25.4 p -90.47 21.22 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 37.22 39.49 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 45.75 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -34.22 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.19 10.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.59 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.74 -59.08 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.04 -58.21 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.24 -55.26 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -37.94 -56.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -41.86 -60.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 57.1 t90 -46.06 -41.83 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.472 HG12 ' CZ ' ' A' ' 54' ' ' PHE . 7.1 t -67.6 -49.67 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 mmt -56.63 -20.81 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.16 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -69.48 -51.81 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptm -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 49' ' ' MET . 23.8 t70 -51.78 -36.35 47.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 150.24 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.2 p30 -92.09 21.99 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' HG12 ' A' ' 45' ' ' VAL . 8.1 t80 -89.06 -41.73 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.13 80.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 4.7 m-20 -41.09 157.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -135.07 104.15 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 8.2 mp0 -58.25 -44.98 88.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -40.97 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.19 -44.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 8.1 mt -58.98 -51.36 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -47.81 -51.01 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -49.63 -59.84 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 12.9 mt -49.03 -51.26 32.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.64 -38.29 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -37.8 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.03 -15.98 63.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.88 56.18 0.63 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -134.35 158.54 74.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.3 OUTLIER -50.66 -62.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 15.5 m-20 -40.04 -57.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -53.66 -44.54 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' MET . 61.6 m -60.01 -47.62 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -63.33 -31.38 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.6 mtmt -63.65 -50.39 69.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.563 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.93 -67.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.3 t -41.24 -55.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -49.62 -66.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.1 m-85 -52.73 -30.36 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.5 p -94.05 24.83 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.74 35.43 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.6 t30 43.47 60.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.73 57.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.86 160.82 36.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.7 -56.23 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.88 -55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.49 -51.85 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.468 ' HB3' ' CE ' ' A' ' 46' ' ' MET . 1.3 mtm -47.79 -53.67 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.69 -49.42 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.751 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 34.2 t90 -55.58 -45.41 77.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' MET . 38.8 t -58.4 -72.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -43.28 -26.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -82.33 -60.31 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 1.4 m-70 -53.86 -44.48 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.497 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 2.4 ppp? -40.69 -27.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 48' ' ' HIS . 86.9 m-20 -45.56 -51.68 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 154.05 57.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.24 16.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.4 m-20 -92.3 25.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.497 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 10.7 t80 -86.8 -24.09 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.87 20.17 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 6.1 m-20 -90.5 157.44 44.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.65 107.49 14.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 18.3 pt-20 -69.06 -41.26 77.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -37.93 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.9 t -70.34 -44.3 77.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 7.4 mt -60.92 -48.71 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.76 -49.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -55.66 -55.38 32.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.51 -51.02 58.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.83 -29.92 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.12 -31.24 71.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.47 ' HE1' ' CE ' ' A' ' 42' ' ' MET . 18.2 mtm -75.03 -28.14 60.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.73 49.28 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.1 157.57 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.01 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -42.86 -61.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.21 -53.71 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -59.54 -43.69 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' MET . 56.5 m -60.32 -36.38 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -73.5 -24.18 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 30.6 mtmt -70.12 -50.12 43.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.651 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -53.97 -71.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 99.4 t -40.24 -55.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -48.84 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -53.42 -54.82 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 20.7 p -58.13 -25.38 61.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 79.11 45.98 8.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 45.2 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.79 -36.63 3.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.59 150.86 5.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.73 -62.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.44 -61.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.05 -53.18 28.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.47 ' CE ' ' HE1' ' A' ' 19' ' ' MET . 0.0 OUTLIER -40.62 -55.06 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -39.81 -59.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.801 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 43.0 t90 -45.08 -47.7 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 29' ' ' ALA . 60.8 t -64.09 -50.65 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.4 mmt -45.71 -27.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -62.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 18.3 m-70 -47.59 -36.97 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.516 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.48 -17.37 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.58 39.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.9 152.44 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 p-10 -92.59 28.21 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 41.2 t80 -94.05 -22.17 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.37 21.16 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 3.1 m-20 -90.91 157.43 43.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 112.04 24.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.5 pt-20 -74.13 -38.84 63.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 6.1 m -46.88 -37.62 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -71.71 -47.34 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.06 -52.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.3 mp -45.44 -55.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.2 -61.1 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -47.67 -50.95 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.12 -33.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -61.69 -37.36 83.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -22.81 66.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 47.55 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.07 155.04 71.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -44.01 -62.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -56.25 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -59.3 -41.71 89.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' MET . 21.2 m -59.19 -41.43 88.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -65.97 -35.51 80.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -56.96 -50.93 71.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.539 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -52.38 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 86.7 t -41.91 -57.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -47.03 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.736 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -45.86 -56.41 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.2 p -58.09 -22.46 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 75.72 39.45 34.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 49.02 89.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -117.87 -37.74 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.63 156.59 8.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.75 -59.94 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.97 -58.22 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.81 -62.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.83 -51.79 64.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.95 -55.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.44 -57.52 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.789 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 80.4 t90 -47.29 -44.63 23.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.457 HG12 ' CZ ' ' A' ' 54' ' ' PHE . 48.3 t -67.02 -57.63 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.6 mmt -41.44 -30.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 4.3 m -91.37 -54.19 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.4 m-70 -52.26 -44.36 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -17.93 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 47' ' ' SER . 7.6 t0 -52.82 -50.22 64.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 152.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 t0 -92.49 28.11 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 5.7 t80 -93.4 -43.13 8.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 51.6 p-10 -41.33 156.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 95.09 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 4.3 mp0 -55.63 -51.77 66.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.01 -41.17 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.68 -47.62 69.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.42 HG22 ' CB ' ' A' ' 26' ' ' CYS . 7.3 mt -56.05 -49.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.5 mp -50.22 -50.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -51.98 -54.46 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.2 -48.08 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 46.4 t -62.25 -28.99 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.7 mm-40 -66.49 -33.99 76.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -19.24 64.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.41 49.79 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -128.99 156.12 78.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.03 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.429 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -44.59 -62.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.19 -45.0 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.42 ' CB ' HG22 ' A' ' 13' ' ' ILE . 64.2 m -60.34 -46.41 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.16 -31.1 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -62.66 -53.32 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -53.66 -67.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.1 t -40.55 -57.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 34' ' ' GLY . 43.2 t80 -49.68 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 20.3 m-85 -49.55 -34.65 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' GLY . 25.9 p -94.55 22.24 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.25 40.48 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 45.05 84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -124.28 57.31 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.06 168.69 45.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.01 -53.89 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.83 -59.21 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.82 -65.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -54.56 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.38 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.85 -56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.01 -56.35 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 34.1 t90 -48.44 -46.4 37.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 29' ' ' ALA . 59.2 t -64.4 -53.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.3 mmt -43.4 -27.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 -63.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.754 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 7.9 m-70 -47.76 -36.79 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.54 -17.56 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -94.99 40.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.87 153.55 26.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.87 28.01 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 35.9 t80 -88.09 -57.97 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.75 88.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.45 157.28 0.17 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 tp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -73.93 93.92 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -62.9 -47.66 82.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -40.13 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG13 ' CG2' ' A' ' 30' ' ' VAL . 78.5 t -72.59 -52.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 mt -52.52 -49.91 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 10' ' ' GLU . 1.3 mp -48.35 -54.97 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -45.29 -66.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.8 mt -45.0 -51.47 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.65 -41.1 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -38.44 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -62.99 -23.23 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 58.8 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -137.01 162.1 57.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.467 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 129.63 12.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -50.64 -62.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.1 m-20 -40.18 -55.94 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -59.61 -41.73 91.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' MET . 19.1 m -58.95 -43.9 91.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -63.45 -35.82 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -58.08 -60.13 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' A' ' 45' ' ' VAL . . . -48.89 -62.23 1.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' GLY . 55.3 t -49.04 -55.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -50.58 -66.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.699 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.6 m-85 -47.6 -46.42 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.3 p -87.14 14.65 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 37.39 53.6 1.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 18.1 p30 39.4 53.93 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.4 m -88.76 41.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 135.48 7.47 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.74 -58.57 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 -57.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.66 -65.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.6 -51.6 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 ttp -47.45 -54.74 10.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -44.31 -51.21 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 47.2 t90 -53.05 -45.43 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.513 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 72.5 t -62.15 -57.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -47.76 -23.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -29.8 16.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.7 m-70 -84.85 -60.08 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.505 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -44.89 -25.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -50.72 -22.79 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.54 155.72 45.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.74 20.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -92.57 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 9.0 t80 -91.88 -47.27 7.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.23 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -45.99 155.53 0.51 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -136.45 113.15 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 15.1 pt-20 -72.11 -38.42 69.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.5 m -48.71 -34.42 11.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -73.72 -40.24 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 15.8 mt -63.41 -51.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -46.44 -54.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.84 -61.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 17.7 mt -46.77 -50.01 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.18 -40.24 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -39.57 73.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -22.28 66.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.01 45.11 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.44 154.43 66.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 120.6 6.14 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -41.25 -62.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -40.34 -55.09 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -60.8 -40.35 92.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' MET . 52.8 m -60.35 -41.26 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 8.3 mtp180 -66.9 -32.78 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.3 mtmt -60.17 -50.64 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 44' ' ' TRP . . . -54.26 -68.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 62.9 t -40.69 -56.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' GLY . 40.6 t80 -48.1 -67.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -48.81 -38.63 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' GLY . 22.9 p -89.89 21.5 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.29 38.2 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 9' ' ' ASP . 14.8 t30 46.76 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 m -129.41 55.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.39 167.16 43.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.64 -57.29 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -43.25 -57.95 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.5 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -56.12 4.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.2 mtm -38.7 -55.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.25 -53.88 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 26.7 t90 -51.23 -44.19 61.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 108.018 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.485 ' O ' ' CG ' ' A' ' 49' ' ' MET . 42.1 t -64.24 -48.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -58.33 -23.57 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -22.37 20.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.4 m-70 -92.11 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.488 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -39.4 -28.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -44.81 -35.91 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.76 152.65 38.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.32 28.09 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 6.8 t80 -92.88 -37.96 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.19 -16.45 63.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.2 157.38 2.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -120.42 99.18 6.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 13' ' ' ILE . 13.2 mp0 -59.37 -51.42 70.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -39.36 -40.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.63 -50.62 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' GLU . 6.2 mt -53.62 -49.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -51.84 -48.59 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.0 -53.89 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 18.6 mt -58.17 -50.04 74.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.07 -35.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.96 -38.61 67.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.9 mtm -68.15 -9.71 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.59 51.77 1.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -127.51 159.33 66.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.05 141.94 27.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.2 mtp -59.71 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' MET . 16.6 m-20 -39.72 -61.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . . . -48.8 -46.29 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 m -59.96 -50.83 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -58.31 -39.05 78.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.4 mtmt -52.94 -52.55 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -52.0 -71.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 39.6 t -42.83 -57.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -44.14 -64.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -53.01 -55.78 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 14.6 p -58.23 -19.82 36.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 70.51 53.94 11.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 44.08 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 11.8 m -138.03 44.33 2.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.46 166.72 37.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.91 -53.75 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.75 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -40.96 -56.01 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 t-20 -40.13 -58.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.8 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 55.8 t90 -46.88 -46.6 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' MET . 49.6 t -64.2 -48.34 86.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.1 mmt -53.13 -23.67 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -47.68 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.7 m-70 -63.78 -52.43 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -47.2 -23.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.79 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -94.23 28.06 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 25' ' ' ALA . 4.6 t80 -95.57 -51.53 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ASN . . . -59.5 -28.41 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' ALA . 30.0 p-10 -40.46 157.31 0.17 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.89 107.31 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' SER . 20.5 pt-20 -69.24 -38.02 78.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -42.64 -43.26 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.15 -48.12 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CG2' ' CB ' ' A' ' 26' ' ' CYS . 8.0 mt -56.17 -50.91 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.68 -54.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.43 -50.8 51.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.48 -50.43 73.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.18 -31.29 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -41.52 98.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.6 mtm -59.32 -29.47 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.15 52.9 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -130.21 157.77 76.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.78 6.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.97 -57.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.17 -53.72 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . . . -57.26 -43.86 83.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' MET . 88.6 m -61.65 -42.62 99.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -71.64 -17.48 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 21.8 mtmt -78.3 -57.14 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HA ' ' CD2' ' A' ' 44' ' ' TRP . . . -47.25 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.7 t -44.95 -61.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.13 -59.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 29.6 m-85 -57.18 -55.6 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 31.7 p -59.89 -14.74 16.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 68.28 38.58 87.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 56.18 103.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 m -129.62 -45.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.04 159.1 11.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.13 -58.77 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -58.63 7.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -53.4 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.51 -53.18 60.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.68 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.29 -57.82 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.8 t90 -47.43 -43.82 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 35.2 t -66.78 -46.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 mmt -58.86 -23.49 60.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -90.04 -47.31 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -62.76 -53.11 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.4 ptm -40.96 -27.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' HIS . 51.0 t0 -47.82 -31.81 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -101.63 149.22 36.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.53 21.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 1.3 m-20 -92.48 25.37 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 25' ' ' ALA . 7.6 t80 -83.53 -46.38 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.93 84.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.8 m-20 -40.98 155.64 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 30' ' ' VAL . 1.2 tp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.64 111.37 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' CD1' ' A' ' 14' ' ' ILE . 15.3 pt-20 -60.2 -39.85 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 m -45.46 -41.99 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.74 -53.88 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mt -47.49 -52.94 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' CD1' ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.85 -54.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -62.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 21.4 mt -51.69 -50.66 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.72 -43.82 56.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -45.17 51.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -54.66 -18.24 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.19 13.2 13.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.64 153.52 55.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.96 128.92 11.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.9 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -40.06 -57.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.6 -43.49 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' MET . 93.6 m -62.49 -49.89 73.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.1 mtmt -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -55.99 -70.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 8' ' ' LEU . 94.0 t -38.79 -53.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -53.78 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.4 m-85 -42.07 -62.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 p -57.13 -26.71 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.21 39.74 12.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 53.51 101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.4 m -146.69 45.27 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.49 168.05 42.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -50.48 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.93 -57.53 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 2.0 ttp -37.87 -57.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.15 -59.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 25.8 t90 -46.85 -43.93 19.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.529 HG13 ' CE1' ' A' ' 54' ' ' PHE . 14.0 t -65.27 -50.72 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 49' ' ' MET . 27.9 mmt -52.84 -22.99 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 -62.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 5.4 m-70 -51.34 -41.16 60.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.5 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.72 -28.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' HIS . 38.7 t70 -52.81 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.72 146.05 37.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -12.77 21.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.52 28.02 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CE1' HG13 ' A' ' 45' ' ' VAL . 9.6 t80 -79.42 -44.2 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.82 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.32 170.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.65 103.87 8.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -49.14 72.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -36.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.47 -51.86 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 mt -52.09 -48.61 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -50.96 -48.76 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.29 -58.74 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 21.8 mt -50.75 -51.98 45.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.69 -39.67 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.87 -43.58 73.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.1 mtm -62.22 -20.11 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 57.42 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.38 157.59 77.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 116.93 4.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -40.6 -61.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 1.3 m-20 -40.32 -50.27 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -64.43 -43.88 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 m -59.3 -30.68 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -34.37 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' NZ ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mtmm -59.97 -48.92 79.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -51.86 -69.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 48.9 t -43.11 -58.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -44.32 -71.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.8 m-85 -47.23 -57.03 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -58.93 -15.79 14.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 66.42 42.0 94.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 52.02 99.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -147.03 41.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.38 168.32 41.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.68 -48.68 14.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -61.6 1.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.36 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.58 -52.96 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -45.62 -52.94 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.47 -49.32 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.769 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 54.1 t90 -55.19 -44.44 75.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' HIS . 39.7 t -59.89 -71.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.401 ' CE ' ' HB ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.35 -24.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 m -85.74 -36.24 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.769 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -76.55 -53.77 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.463 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 21.2 ptm -39.21 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' HIS . 27.6 t70 -41.82 -38.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.08 154.74 37.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.56 18.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.93 28.12 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 11.1 t80 -89.86 -42.96 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.13 72.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 51.2 p-10 -40.64 156.74 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 115.47 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 14' ' ' ILE . 12.0 pt-20 -69.88 -39.66 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.7 m -46.62 -35.58 6.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -75.02 -45.9 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' ILE . 43.2 mt -62.24 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 10' ' ' GLU . 1.3 mp -39.49 -56.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -48.67 -63.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.67 -49.21 14.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.3 -43.24 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.63 -39.11 73.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.5 mtm -63.38 -18.42 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.46 56.79 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.29 159.29 72.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 137.42 21.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.419 1.747 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -52.49 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 41.0 m-20 -40.24 -65.9 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -45.79 -48.07 15.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.1 m -58.04 -42.62 85.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -65.49 -35.1 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -60.02 -54.5 45.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.569 ' HB1' ' CE3' ' A' ' 44' ' ' TRP . . . -51.88 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.3 t -40.19 -56.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -51.85 -65.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 13.2 m-85 -49.9 -34.12 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.0 p -92.15 24.28 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.37 40.03 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 29.5 t30 44.06 56.67 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -47.58 48.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.68 160.65 23.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.36 -54.15 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -58.59 7.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.83 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.16 -52.81 8.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -39.47 -55.03 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.59 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 29.9 t90 -49.78 -44.29 48.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' MET . 42.0 t -65.18 -47.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.7 mmt -56.17 -23.69 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -37.59 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.7 m-70 -75.43 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.487 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.7 ptm -40.81 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 42.3 t0 -51.84 -36.74 49.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.79 153.5 37.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.93 28.1 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.4 t80 -96.79 -24.85 15.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.0 14.16 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.05 157.38 71.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.81 114.23 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 11.5 pt-20 -69.55 -44.06 71.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -43.15 -36.9 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.03 -51.57 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 7.8 mt -51.79 -47.11 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.7 mp -53.24 -50.17 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.47 -52.42 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.58 -47.46 85.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 42.5 t -60.27 -29.75 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -18.06 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.11 44.01 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.5 154.55 59.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.02 122.71 7.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.429 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -37.71 -63.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.4 m-20 -40.21 -57.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . . . -57.17 -43.33 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' MET . 23.2 m -58.37 -45.0 89.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -63.69 -37.19 86.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 33.2 mtmt -55.34 -50.99 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.543 ' HB3' ' CE3' ' A' ' 44' ' ' TRP . . . -54.91 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.1 t -40.34 -55.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -50.44 -67.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.64 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.3 m-85 -48.81 -37.1 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' GLY . 25.6 p -90.04 22.61 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.88 41.37 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t30 40.52 70.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -112.08 52.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.97 164.69 40.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.16 -58.81 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.18 -54.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.59 -55.81 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.96 -57.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -40.06 -56.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.773 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.6 t90 -48.6 -47.5 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.481 ' O ' ' CG ' ' A' ' 49' ' ' MET . 12.7 t -56.05 -68.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.474 ' HA ' ' CG ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -48.12 -22.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.43 -31.33 18.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.773 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.3 m-70 -88.36 -61.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.89 -28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -49.32 -29.68 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.03 161.44 30.99 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.88 28.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 25' ' ' ALA . 14.6 t80 -106.15 -42.83 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.08 -33.96 74.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.6 157.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -145.82 131.09 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 92.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -54.84 -76.19 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.97 -61.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 73.2 m 64.68 157.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.35 102.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp 55.7 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.63 110.87 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 11' ' ' SER . 17.4 pt-20 -73.96 -37.81 64.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -44.23 -41.6 5.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.64 -48.74 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 26' ' ' CYS . 13.3 mt -54.69 -53.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -44.44 -58.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.4 mt-30 -45.27 -65.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.4 mt -46.12 -50.02 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.82 -33.31 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.6 mt-10 -72.87 -29.03 62.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.5 mtm -71.43 -18.64 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.55 52.72 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -133.19 157.99 76.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.0 124.76 8.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -42.34 -62.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' MET . 79.6 m-20 -40.2 -59.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -52.22 -44.62 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.416 ' CB ' HG21 ' A' ' 13' ' ' ILE . 99.3 m -60.6 -38.75 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.25 -18.9 60.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 25.1 mtmt -75.66 -49.8 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.86 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.9 t -42.82 -56.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -48.33 -70.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.3 m-85 -45.01 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 p -58.25 -23.44 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 76.42 39.26 31.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' GLY . 29.7 t-20 50.86 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -148.39 46.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.03 166.63 40.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.19 -52.23 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.91 -54.37 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.85 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.73 -55.56 16.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' VAL . 3.5 mtt -46.55 -54.97 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -42.28 -58.6 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 32' ' ' TYR . 71.8 t90 -47.22 -41.58 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 108.034 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 54' ' ' PHE . 12.0 t -68.16 -49.57 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -56.07 -25.07 43.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -47.33 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -63.57 -55.13 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.431 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 24.3 ptm -40.37 -28.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 19.0 t0 -50.39 -32.64 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.4 153.27 38.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -9.4 20.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.9 27.38 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 3.7 t80 -89.03 -50.51 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -40.55 155.96 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -178.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 162.35 23.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -40.61 137.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.49 154.79 37.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.44 3.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.91 80.31 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.03 124.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 p -118.72 -57.28 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.27 80.98 0.32 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.73 41.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.82 69.48 0.53 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -141.46 149.61 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 -60.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.38 95.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 126.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.8 t -55.55 -59.69 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.31 158.31 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.9 98.73 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -173.33 138.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 138.27 4.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.087 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.57 161.99 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -89.96 168.67 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.1 -179.49 46.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp -106.88 163.12 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 112.48 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 11.0 pt-20 -70.89 -46.86 61.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -42.16 -38.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.001 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -71.92 -45.64 63.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 12.5 mt -57.71 -50.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -48.53 -49.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.0 -61.72 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.54 -51.71 45.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.69 -37.78 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.87 -41.06 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mtm -62.81 -16.61 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.25 52.48 0.77 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -128.4 158.73 70.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 123.84 8.16 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -46.77 -61.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.26 -55.64 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -59.06 -41.07 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' MET . 33.9 m -60.87 -41.56 96.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -71.34 -21.12 62.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 56' ' ' ASN . 24.4 mtmt -73.37 -48.75 31.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB3' ' CE3' ' A' ' 44' ' ' TRP . . . -55.04 -67.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 34' ' ' GLY . 84.7 t -43.79 -53.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -50.99 -71.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.679 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -44.54 -57.06 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.6 p -58.73 -25.71 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.29 46.04 9.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 47.52 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -143.79 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 166.7 31.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.89 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -45.9 -58.95 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -52.33 -62.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.01 -51.75 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -43.29 -53.43 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -41.56 -56.84 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.8 t90 -48.19 -44.7 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 42' ' ' MET . 48.4 t -66.4 -48.2 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -49.97 -25.47 3.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -92.31 -53.52 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -56.84 -47.48 80.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.524 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 3.8 ptt? -44.74 -25.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -88.85 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.95 152.59 11.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -12.56 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 m-20 -92.48 28.19 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 26.1 t80 -95.49 -42.21 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.91 19.2 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' OD1' ' NZ ' ' A' ' 28' ' ' LYS . 42.6 p-10 -92.18 157.22 41.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.59 42.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tp -82.8 127.1 33.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mt 58.18 109.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.64 155.98 66.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.06 135.09 12.56 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.53 85.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -65.12 95.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.16 -145.66 5.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.4 18.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.03 143.93 45.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.3 p -156.84 -61.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.06 153.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.91 97.25 1.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.49 4.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.68 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t 62.15 88.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -80.5 -58.5 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -131.83 94.44 3.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.26 -60.06 0.26 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 m -115.21 124.81 52.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -100.64 88.17 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 176.63 25.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.21 162.73 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 1.1 m-20 -119.68 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.02 -43.13 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -42.93 -35.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.54 -53.41 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 mt -50.69 -50.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.89 -53.21 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.61 -60.86 2.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.39 -50.15 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.13 -36.8 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -26.74 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.7 mtt -78.13 -13.16 59.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.46 49.66 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -125.5 157.77 66.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 131.25 14.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' ARG . 6.5 mtp -46.61 -63.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.4 m-20 -40.4 -64.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . . . -47.96 -46.71 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 m -58.04 -41.81 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' MET . 10.1 mtp180 -66.86 -34.88 78.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.4 mtmt -57.9 -50.9 71.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.16 -70.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.9 t -40.29 -55.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' GLY . 26.9 t80 -48.95 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 23.0 m-85 -48.99 -37.58 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' GLY . 26.8 p -89.42 21.02 3.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.09 46.26 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 9' ' ' ASP . 21.7 t-20 40.64 67.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.54 -40.11 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.17 156.39 9.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.66 -61.55 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.12 -57.76 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.8 -62.36 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.27 -51.35 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.4 ttp -37.94 -55.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.26 -52.1 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 40.2 t90 -52.8 -42.87 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.047 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.497 HG11 ' CZ ' ' A' ' 54' ' ' PHE . 43.0 t -65.1 -48.77 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 mmt -59.07 -20.87 57.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.87 -24.99 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.785 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.7 m-70 -91.95 -62.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -41.39 -27.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -49.65 -23.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.32 157.87 48.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -4.67 15.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.22 28.0 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' ALA . 6.1 t80 -97.67 -43.32 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.41 69.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -40.52 157.36 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.5 tp -100.58 115.41 30.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mp -46.44 110.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.82 155.0 2.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.91 5.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.67 147.19 32.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -150.47 -61.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.63 103.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.49 -145.94 38.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.12 -157.98 9.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.7 p 60.13 162.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -153.95 150.51 28.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 168.71 97.25 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 61.31 5.65 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.73 140.88 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.26 -58.69 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -174.4 119.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m 71.3 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.56 -119.76 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -103.79 -62.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t 51.85 91.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.56 -72.39 1.08 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -81.95 170.76 15.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.1 127.48 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.3 pt-20 -80.59 -38.51 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.2 t -47.98 -37.17 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.6 -40.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.3 mt -63.8 -52.17 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -46.27 -52.27 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.92 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -48.26 -51.77 24.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.6 t -56.83 -38.14 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.68 -37.57 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mtm -66.81 -19.02 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.76 55.08 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -130.94 158.37 75.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.04 134.11 17.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -48.32 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -39.8 -59.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -49.23 -45.25 44.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' MET . 68.8 m -62.38 -56.3 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -53.64 -34.49 58.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 27.3 mtmt -59.19 -57.01 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB3' ' CE3' ' A' ' 44' ' ' TRP . . . -49.55 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.436 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 47.9 t -43.01 -59.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' GLY . 33.0 t80 -47.85 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.657 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 18.2 m-85 -48.29 -41.95 29.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -89.46 20.22 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.39 46.36 1.43 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' GLY . 30.6 t30 40.24 85.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -124.46 47.03 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.0 169.41 35.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.37 -54.34 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -59.43 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.25 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.64 -56.47 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -39.22 -57.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -41.33 -57.61 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 32.0 t90 -46.59 -44.87 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 108.015 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 29' ' ' ALA . 59.8 t -67.54 -56.9 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -37.94 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.3 m -92.2 -58.12 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.6 m-70 -49.03 -39.35 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.507 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -57.9 -15.72 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.71 42.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.8 152.7 16.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.63 20.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 16.7 p-10 -92.61 28.22 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.507 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 26.8 t80 -85.57 -49.85 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.05 72.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m-20 -40.97 157.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.09 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -81.09 155.52 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.34 115.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.39 160.38 0.31 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.73 38.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.34 -105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.99 118.73 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.0 t -159.76 160.49 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.56 98.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.51 17.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.97 90.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 130.62 44.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 m -131.48 104.24 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.38 78.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 87.51 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.791 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -55.27 105.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m 61.89 151.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -141.5 144.59 34.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 109.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.38 108.45 15.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.88 81.83 0.9 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -142.34 -58.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -60.92 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.36 -74.22 0.35 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -125.25 165.62 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.93 111.64 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 15.8 pt-20 -64.37 -38.04 89.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -46.58 -38.63 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.57 -45.98 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 7.5 mt -58.25 -49.67 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 mp -49.58 -55.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -48.65 -57.38 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.99 -49.53 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 23' ' ' MET . 92.5 t -59.73 -32.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.7 mm-40 -63.5 -41.6 98.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -26.41 67.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.17 57.91 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.41 161.34 61.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.91 13.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.457 ' HG2' ' CG2' ' A' ' 17' ' ' VAL . 12.4 mtp -52.85 -55.67 21.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -55.71 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -60.76 -38.68 86.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 23' ' ' MET . 93.7 m -61.94 -38.21 87.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.8 -18.85 59.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 58' ' ' LEU . 26.6 mtmt -77.22 -50.51 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.563 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -55.16 -65.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.6 t -40.49 -55.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 34' ' ' GLY . 37.7 t80 -51.96 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.3 m-85 -50.85 -21.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' ASN . 36.6 p -108.67 26.49 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.06 31.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' THR . 20.1 t30 50.61 66.56 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.59 -47.87 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.14 162.06 26.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.82 -58.32 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -60.45 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.88 -51.78 48.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.78 -55.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.12 -55.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 32.2 t90 -49.7 -44.63 48.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' MET . 48.1 t -65.43 -51.1 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 mmt -49.0 -26.14 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -88.79 -64.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.2 m-70 -47.44 -43.48 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.573 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -53.02 -19.17 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 47' ' ' SER . 22.4 t0 -60.48 -30.26 69.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 148.26 34.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.99 19.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.73 27.82 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 10.7 t80 -93.27 -27.87 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 6.31 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -78.55 171.55 12.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.96 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 28' ' ' LYS . 11.5 tp -108.39 137.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.01 134.03 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.94 155.52 83.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.417 1.746 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.85 -153.33 17.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.85 89.43 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -145.2 97.26 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.67 157.51 1.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -57.2 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.3 -108.83 3.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t 64.91 134.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -158.9 97.11 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -111.42 97.29 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -58.92 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.9 m -84.63 159.48 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.2 p -56.0 103.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 54.78 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.25 -144.86 17.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.18 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.04 162.35 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.52 -88.48 0.85 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -118.63 166.28 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.763 . . . . 0.0 109.251 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -130.35 92.42 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -47.58 34.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -39.88 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -71.83 -45.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.9 mt -59.12 -51.08 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.6 mp -47.65 -48.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.08 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 16.4 mt -48.34 -50.65 29.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.95 -34.89 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -62.01 -34.07 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.3 mtp -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.25 56.21 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.39 156.09 80.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 118.26 5.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -37.91 -62.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.3 m-20 -40.35 -59.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.569 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.69 -45.3 66.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.1 m -59.55 -39.1 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 108.332 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -74.36 -21.61 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.9 mtmt -72.77 -49.64 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -55.03 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 58.8 t -39.71 -54.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -51.36 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -57.4 -54.19 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 32.3 p -58.44 -24.95 61.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.39 46.77 8.66 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 40.7 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.44 37.77 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.5 172.11 30.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.25 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.77 -52.18 43.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.95 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.47 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 56.4 mtt -40.79 -54.65 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -41.07 -60.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.5 t90 -45.15 -42.68 9.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' CG1' ' CZ ' ' A' ' 54' ' ' PHE . 9.8 t -67.26 -48.9 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -58.73 -20.02 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.3 -51.11 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.2 m-70 -59.89 -53.14 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.445 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 23.2 ptm -41.64 -27.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -49.73 -31.58 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 154.71 40.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -6.82 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.34 28.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.6 t80 -94.68 -25.79 16.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 12.23 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.56 157.33 74.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.09 23.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.9 tp -90.87 146.83 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.05 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.27 161.24 0.24 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.44 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.99 112.64 0.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -59.77 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.9 t -80.5 107.91 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.58 -146.39 4.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.05 30.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.63 131.13 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.7 p -133.39 119.11 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -151.77 116.82 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.23 162.33 27.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 t -144.77 -58.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 t -61.07 -58.39 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.52 147.63 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -156.84 117.84 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.2 -169.21 15.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -170.07 146.6 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m 67.51 131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.83 -62.95 0.92 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.26 168.94 18.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.82 112.57 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' SER . 14.3 pt-20 -67.89 -38.57 83.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -47.45 -39.94 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -68.79 -45.29 81.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.23 -52.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -47.03 -54.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.41 -55.82 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.15 -49.19 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.2 t -58.25 -41.13 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.1 -37.14 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.9 mtt -66.44 -12.84 59.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.35 36.56 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -111.86 156.24 41.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 124.72 8.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -47.52 -60.62 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 2.1 m-20 -40.29 -55.78 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -60.52 -45.51 93.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 m -56.61 -32.07 64.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.9 mtp180 -78.32 -21.23 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.3 mtmp? -74.47 -50.03 19.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.598 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -54.11 -68.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 35' ' ' ASN . 54.1 t -40.99 -57.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -47.82 -68.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 21.0 m-85 -48.48 -37.52 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 35' ' ' ASN . 27.2 p -90.38 24.08 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.81 33.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 18.2 t30 47.22 87.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.76 57.84 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.6 164.92 40.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.14 -54.93 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.24 -61.93 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.43 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.07 -54.71 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.1 ttm -38.29 -56.71 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -40.81 -54.5 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.775 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 40.1 t90 -50.47 -47.27 57.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' MET . 62.8 t -61.79 -40.61 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.97 -25.44 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -90.14 -21.16 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.775 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 m-70 -91.91 -56.66 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.4 ptm -41.59 -27.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' HIS . 1.4 t0 -53.43 -38.33 63.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.72 151.96 38.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.65 11.51 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 13.2 m-20 -93.68 25.58 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 7.8 t80 -96.61 -48.19 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.12 67.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 45.6 p-10 -44.68 157.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.7 6.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.9 tp -95.43 131.54 41.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mm -53.39 148.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.41 154.88 77.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.98 5.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.83 133.16 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.9 p -163.62 167.18 21.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.13 79.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.47 162.46 9.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.34 2.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.67 95.09 2.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 p -89.3 136.29 33.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.63 148.03 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.63 157.74 10.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -44.13 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.4 157.79 39.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 82.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 106.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.35 90.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.79 -104.69 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m 63.52 103.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 140.71 43.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.68 88.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER 56.07 166.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.95 104.73 10.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.2 pt-20 -72.25 -38.02 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -42.16 -38.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.87 -56.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -48.58 -46.47 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -53.12 -54.26 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.84 -60.75 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 12.5 mt -48.23 -47.71 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 14.8 t -62.2 -39.01 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.32 -32.98 74.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 87.5 mtp -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.62 61.17 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.38 161.99 47.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' CYS . 10.9 ttm -46.19 -63.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 85.6 m-20 -39.99 -55.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -57.41 -43.3 83.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' MET . 50.9 m -59.26 -41.41 88.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -31.25 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -61.33 -51.92 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -54.54 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 98.2 t -39.97 -55.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.0 m-85 -51.18 -36.41 41.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' GLY . 25.4 p -90.47 21.22 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 37.22 39.49 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 45.75 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -34.22 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.19 10.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.59 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.74 -59.08 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.04 -58.21 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.24 -55.26 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -37.94 -56.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -41.86 -60.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 57.1 t90 -46.06 -41.83 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 HG12 ' CZ ' ' A' ' 54' ' ' PHE . 7.1 t -67.6 -49.67 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 mmt -56.63 -20.81 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.16 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -69.48 -51.81 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptm -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 49' ' ' MET . 23.8 t70 -51.78 -36.35 47.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 150.24 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.2 p30 -92.09 21.99 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' HG12 ' A' ' 45' ' ' VAL . 8.1 t80 -89.06 -41.73 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.13 80.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 4.7 m-20 -41.09 157.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.92 9.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HB2' ' CG ' ' A' ' 28' ' ' LYS . 9.7 tp -90.02 115.94 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.15 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -80.78 147.19 61.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' N ' HD13 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.03 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.14 -122.24 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.45 112.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.036 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.1 126.12 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.01 158.15 9.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.43 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.15 113.85 4.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -75.3 98.28 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.2 m -48.39 138.25 10.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.65 82.92 1.45 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 80.06 2.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.9 123.07 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.54 109.06 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.19 88.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -80.4 -58.66 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.37 -174.4 52.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -107.15 125.52 51.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -61.99 112.36 2.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.42 -120.87 2.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -125.45 163.21 23.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -135.07 104.15 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 8.2 mp0 -58.25 -44.98 88.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -40.97 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.19 -44.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 8.1 mt -58.98 -51.36 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -47.81 -51.01 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -49.63 -59.84 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 12.9 mt -49.03 -51.26 32.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.64 -38.29 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -37.8 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.03 -15.98 63.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.88 56.18 0.63 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -134.35 158.54 74.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.3 OUTLIER -50.66 -62.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 15.5 m-20 -40.04 -57.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -53.66 -44.54 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' MET . 61.6 m -60.01 -47.62 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -63.33 -31.38 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.6 mtmt -63.65 -50.39 69.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.563 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.93 -67.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.3 t -41.24 -55.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -49.62 -66.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.1 m-85 -52.73 -30.36 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.5 p -94.05 24.83 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.74 35.43 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.6 t30 43.47 60.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.73 57.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.86 160.82 36.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.7 -56.23 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.88 -55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.49 -51.85 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.468 ' HB3' ' CE ' ' A' ' 46' ' ' MET . 1.3 mtm -47.79 -53.67 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.69 -49.42 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.751 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 34.2 t90 -55.58 -45.41 77.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' MET . 38.8 t -58.4 -72.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -43.28 -26.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -82.33 -60.31 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 1.4 m-70 -53.86 -44.48 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.497 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 2.4 ppp? -40.69 -27.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 48' ' ' HIS . 86.9 m-20 -45.56 -51.68 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 154.05 57.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.24 16.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.4 m-20 -92.3 25.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.497 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 10.7 t80 -86.8 -24.09 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.87 20.17 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 6.1 m-20 -90.5 157.44 44.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.88 17.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 tp -101.21 144.64 29.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -46.29 151.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.95 155.05 64.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.68 28.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.0 109.64 2.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -165.18 -50.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 109.988 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.53 114.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.26 157.65 13.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 66.89 5.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.65 163.64 12.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.87 156.84 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.04 -57.47 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.53 -168.71 41.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 168.44 24.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.2 m -127.22 124.18 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.3 136.64 52.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -49.52 -58.42 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m 61.86 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.91 -96.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t 59.01 94.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -48.87 145.49 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.7 -125.75 5.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -102.13 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.65 107.49 14.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 18.3 pt-20 -69.06 -41.26 77.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -37.93 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.9 t -70.34 -44.3 77.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 7.4 mt -60.92 -48.71 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.76 -49.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -55.66 -55.38 32.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.51 -51.02 58.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.83 -29.92 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.12 -31.24 71.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.47 ' HE1' ' CE ' ' A' ' 42' ' ' MET . 18.2 mtm -75.03 -28.14 60.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.73 49.28 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.1 157.57 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.01 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -42.86 -61.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.21 -53.71 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.453 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -59.54 -43.69 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' MET . 56.5 m -60.32 -36.38 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -73.5 -24.18 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 30.6 mtmt -70.12 -50.12 43.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.651 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -53.97 -71.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 99.4 t -40.24 -55.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.517 ' CD2' HD13 ' A' ' 58' ' ' LEU . 32.8 t80 -48.84 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -53.42 -54.82 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 20.7 p -58.13 -25.38 61.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 79.11 45.98 8.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 45.2 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.79 -36.63 3.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.59 150.86 5.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.73 -62.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.44 -61.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.05 -53.18 28.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.47 ' CE ' ' HE1' ' A' ' 19' ' ' MET . 0.0 OUTLIER -40.62 -55.06 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -39.81 -59.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.801 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 43.0 t90 -45.08 -47.7 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 29' ' ' ALA . 60.8 t -64.09 -50.65 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.4 mmt -45.71 -27.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -62.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 18.3 m-70 -47.59 -36.97 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.516 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.48 -17.37 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.58 39.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.9 152.44 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 p-10 -92.59 28.21 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 41.2 t80 -94.05 -22.17 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.37 21.16 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 3.1 m-20 -90.91 157.43 43.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.96 36.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD13 ' CD2' ' A' ' 31' ' ' TYR . 47.3 tp -86.38 134.43 33.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.73 121.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.74 154.77 83.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.08 17.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.13 124.26 31.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.2 p -174.12 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 t 65.51 168.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.04 81.33 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.07 2.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.61 126.14 8.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.86 163.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -106.01 125.58 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.68 97.26 1.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 125.98 9.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 168.63 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 95.1 p -142.5 147.32 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m -40.53 -58.35 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -48.35 143.6 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.72 -130.52 1.74 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -82.21 99.85 9.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.82 96.86 10.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.43 -139.83 7.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -106.91 144.11 34.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 112.04 24.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 11' ' ' SER . 11.5 pt-20 -74.13 -38.84 63.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 6.1 m -46.88 -37.62 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -71.71 -47.34 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 mt -56.06 -52.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.3 mp -45.44 -55.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.2 -61.1 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -47.67 -50.95 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.12 -33.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -61.69 -37.36 83.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -22.81 66.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 47.55 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.07 155.04 71.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -44.01 -62.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -56.25 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -59.3 -41.71 89.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' MET . 21.2 m -59.19 -41.43 88.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -65.97 -35.51 80.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -56.96 -50.93 71.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.539 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -52.38 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 86.7 t -41.91 -57.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -47.03 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.736 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -45.86 -56.41 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.2 p -58.09 -22.46 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 75.72 39.45 34.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 49.02 89.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -117.87 -37.74 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.63 156.59 8.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.75 -59.94 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.97 -58.22 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.81 -62.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.83 -51.79 64.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.95 -55.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.44 -57.52 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.789 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 80.4 t90 -47.29 -44.63 23.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 HG12 ' CZ ' ' A' ' 54' ' ' PHE . 48.3 t -67.02 -57.63 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.6 mmt -41.44 -30.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 4.3 m -91.37 -54.19 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.4 m-70 -52.26 -44.36 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -17.93 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 47' ' ' SER . 7.6 t0 -52.82 -50.22 64.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 152.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 t0 -92.49 28.11 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 5.7 t80 -93.4 -43.13 8.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 51.6 p-10 -41.33 156.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -177.61 3.6 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ILE . 13.3 tp -87.1 118.39 26.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' LEU . 3.4 mt 39.21 89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -41.31 160.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.88 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.19 -55.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.8 p -140.18 93.83 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 82.1 p -84.07 168.11 16.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.33 97.2 0.08 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.76 117.44 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.0 t -165.21 143.74 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.69 129.13 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.77 95.08 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 116.1 4.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 150.8 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 t 74.24 -70.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -140.83 158.57 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -102.91 155.01 18.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.71 150.7 5.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -159.81 165.61 32.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 0.745 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.5 90.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.37 146.47 4.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mp -74.95 164.19 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 95.09 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 4.3 mp0 -55.63 -51.77 66.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.01 -41.17 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.68 -47.62 69.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.42 HG22 ' CB ' ' A' ' 26' ' ' CYS . 7.3 mt -56.05 -49.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.5 mp -50.22 -50.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -51.98 -54.46 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.2 -48.08 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 46.4 t -62.25 -28.99 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.7 mm-40 -66.49 -33.99 76.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -19.24 64.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.41 49.79 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -128.99 156.12 78.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.03 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.429 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -44.59 -62.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.19 -45.0 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.42 ' CB ' HG22 ' A' ' 13' ' ' ILE . 64.2 m -60.34 -46.41 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.16 -31.1 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -62.66 -53.32 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -53.66 -67.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 68.1 t -40.55 -57.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 34' ' ' GLY . 43.2 t80 -49.68 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 20.3 m-85 -49.55 -34.65 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 34' ' ' GLY . 25.9 p -94.55 22.24 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.25 40.48 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 45.05 84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -124.28 57.31 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.06 168.69 45.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.01 -53.89 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.83 -59.21 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.82 -65.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -54.56 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.38 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.85 -56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.01 -56.35 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 34.1 t90 -48.44 -46.4 37.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 29' ' ' ALA . 59.2 t -64.4 -53.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.3 mmt -43.4 -27.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 -63.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.754 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 7.9 m-70 -47.76 -36.79 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.54 -17.56 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -94.99 40.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.87 153.55 26.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.87 28.01 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' CG ' ' HA ' ' A' ' 49' ' ' MET . 35.9 t80 -88.09 -57.97 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.75 88.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.45 157.28 0.17 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.22 142.98 30.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.0 mp -53.4 133.25 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mt -118.53 155.01 52.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 91.79 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.74 107.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.39 132.03 52.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -106.88 82.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.53 -166.08 23.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.73 9.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.55 138.08 2.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.6 p -117.41 155.09 30.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -152.46 143.24 22.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.02 119.63 0.49 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.53 27.93 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.7 94.76 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.2 161.8 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 143.89 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -138.71 84.45 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.53 -167.25 38.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -178.93 117.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 109.993 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.31 97.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.07 -122.04 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.579 1.174 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 tp -109.15 148.04 31.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -73.93 93.92 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -62.9 -47.66 82.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -40.13 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG13 ' CG2' ' A' ' 30' ' ' VAL . 78.5 t -72.59 -52.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 mt -52.52 -49.91 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 10' ' ' GLU . 1.3 mp -48.35 -54.97 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -45.29 -66.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.8 mt -45.0 -51.47 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.65 -41.1 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -38.44 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -62.99 -23.23 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 58.8 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -137.01 162.1 57.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.467 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 129.63 12.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -50.64 -62.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.1 m-20 -40.18 -55.94 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -59.61 -41.73 91.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' MET . 19.1 m -58.95 -43.9 91.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -63.45 -35.82 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 35.9 mtmt -58.08 -60.13 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' CB ' HG22 ' A' ' 45' ' ' VAL . . . -48.89 -62.23 1.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' GLY . 55.3 t -49.04 -55.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -50.58 -66.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.699 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.6 m-85 -47.6 -46.42 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.3 p -87.14 14.65 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 37.39 53.6 1.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 18.1 p30 39.4 53.93 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.4 m -88.76 41.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 135.48 7.47 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.74 -58.57 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 -57.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.66 -65.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.6 -51.6 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 ttp -47.45 -54.74 10.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -44.31 -51.21 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 47.2 t90 -53.05 -45.43 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.513 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 72.5 t -62.15 -57.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -47.76 -23.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -29.8 16.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.7 m-70 -84.85 -60.08 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.505 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -44.89 -25.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -50.72 -22.79 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.54 155.72 45.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.74 20.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -92.57 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 9.0 t80 -91.88 -47.27 7.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.23 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -45.99 155.53 0.51 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -77.31 156.93 31.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.45 128.3 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.6 155.53 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 62.84 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.9 -177.94 49.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.3 t -65.99 81.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.51 143.33 26.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.59 -150.18 20.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 62.01 5.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.86 -98.52 0.1 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -55.69 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t 62.67 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.79 -146.83 18.46 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.83 34.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.1 p -158.37 105.9 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.37 153.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -164.37 131.64 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 0.731 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 65.22 100.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.59 143.61 10.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -138.81 119.26 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -99.58 -57.26 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.46 -140.23 3.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -91.16 170.57 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -136.45 113.15 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 15.1 pt-20 -72.11 -38.42 69.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.5 m -48.71 -34.42 11.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -73.72 -40.24 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 15.8 mt -63.41 -51.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 mp -46.44 -54.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.84 -61.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.432 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 17.7 mt -46.77 -50.01 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.18 -40.24 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -39.57 73.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -22.28 66.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.01 45.11 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.44 154.43 66.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 120.6 6.14 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -41.25 -62.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -40.34 -55.09 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -60.8 -40.35 92.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' MET . 52.8 m -60.35 -41.26 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 8.3 mtp180 -66.9 -32.78 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.3 mtmt -60.17 -50.64 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 44' ' ' TRP . . . -54.26 -68.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 62.9 t -40.69 -56.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' GLY . 40.6 t80 -48.1 -67.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -48.81 -38.63 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 34' ' ' GLY . 22.9 p -89.89 21.5 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.29 38.2 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 9' ' ' ASP . 14.8 t30 46.76 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.8 m -129.41 55.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.39 167.16 43.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.64 -57.29 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -43.25 -57.95 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.5 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -56.12 4.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.2 mtm -38.7 -55.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.25 -53.88 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 26.7 t90 -51.23 -44.19 61.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 108.018 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.485 ' O ' ' CG ' ' A' ' 49' ' ' MET . 42.1 t -64.24 -48.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -58.33 -23.57 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -22.37 20.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.4 m-70 -92.11 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.488 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -39.4 -28.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -44.81 -35.91 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.76 152.65 38.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.32 28.09 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 6.8 t80 -92.88 -37.96 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.19 -16.45 63.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.2 157.38 2.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.14 16.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -87.35 120.06 28.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mp -41.78 107.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.88 157.5 15.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.81 38.71 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.05 80.0 1.3 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 t 61.08 155.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.3 p -62.95 110.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.22 4.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.02 29.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.15 80.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 t -109.06 -58.62 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.02 -58.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.87 -158.74 27.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.47 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.439 1.757 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.01 -58.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -126.7 147.24 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -114.57 86.5 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.43 -69.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -178.1 -174.07 44.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -173.75 145.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t 48.52 94.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.06 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tp 53.69 173.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -120.42 99.18 6.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 13' ' ' ILE . 13.2 mp0 -59.37 -51.42 70.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -39.36 -40.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.63 -50.62 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' GLU . 6.2 mt -53.62 -49.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -51.84 -48.59 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.0 -53.89 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 18.6 mt -58.17 -50.04 74.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.07 -35.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.96 -38.61 67.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.9 mtm -68.15 -9.71 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.59 51.77 1.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -127.51 159.33 66.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.05 141.94 27.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.2 mtp -59.71 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' MET . 16.6 m-20 -39.72 -61.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . . . -48.8 -46.29 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 m -59.96 -50.83 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -58.31 -39.05 78.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.4 mtmt -52.94 -52.55 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' CB ' ' CE3' ' A' ' 44' ' ' TRP . . . -52.0 -71.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 39.6 t -42.83 -57.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -44.14 -64.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -53.01 -55.78 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 14.6 p -58.23 -19.82 36.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 70.51 53.94 11.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 44.08 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 11.8 m -138.03 44.33 2.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.46 166.72 37.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.91 -53.75 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.75 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -40.96 -56.01 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 t-20 -40.13 -58.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.8 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 55.8 t90 -46.88 -46.6 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' MET . 49.6 t -64.2 -48.34 86.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.1 mmt -53.13 -23.67 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -47.68 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.7 m-70 -63.78 -52.43 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -47.2 -23.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.79 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -94.23 28.06 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 25' ' ' ALA . 4.6 t80 -95.57 -51.53 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ASN . . . -59.5 -28.41 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' ALA . 30.0 p-10 -40.46 157.31 0.17 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.8 141.65 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.95 141.81 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.5 156.3 53.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.43 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -110.52 69.1 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 p -176.22 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.5 133.62 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -154.38 7.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 74.96 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.59 -154.83 1.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -152.08 168.49 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.79 . . . . 0.0 110.048 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -89.83 142.85 27.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.58 84.72 0.19 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.76 133.29 41.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -97.63 152.35 19.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.33 130.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.063 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.51 128.56 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.54 73.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.67 155.54 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -124.8 146.18 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.79 -114.35 4.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -126.97 145.85 50.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.89 107.31 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' SER . 20.5 pt-20 -69.24 -38.02 78.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -42.64 -43.26 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.15 -48.12 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CG2' ' CB ' ' A' ' 26' ' ' CYS . 8.0 mt -56.17 -50.91 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.68 -54.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.43 -50.8 51.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.48 -50.43 73.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.18 -31.29 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -41.52 98.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.6 mtm -59.32 -29.47 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.15 52.9 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -130.21 157.77 76.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.78 6.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.97 -57.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.17 -53.72 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . . . -57.26 -43.86 83.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' MET . 88.6 m -61.65 -42.62 99.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -71.64 -17.48 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 21.8 mtmt -78.3 -57.14 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HA ' ' CD2' ' A' ' 44' ' ' TRP . . . -47.25 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.7 t -44.95 -61.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.13 -59.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 29.6 m-85 -57.18 -55.6 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 31.7 p -59.89 -14.74 16.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 68.28 38.58 87.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 56.18 103.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 m -129.62 -45.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.04 159.1 11.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.13 -58.77 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -58.63 7.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -53.4 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.51 -53.18 60.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.68 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.29 -57.82 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.8 t90 -47.43 -43.82 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 35.2 t -66.78 -46.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 mmt -58.86 -23.49 60.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -90.04 -47.31 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -62.76 -53.11 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.4 ptm -40.96 -27.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' HIS . 51.0 t0 -47.82 -31.81 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -101.63 149.22 36.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.53 21.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 1.3 m-20 -92.48 25.37 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 25' ' ' ALA . 7.6 t80 -83.53 -46.38 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.93 84.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.8 m-20 -40.98 155.64 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.42 6.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 150.83 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 mp -68.64 121.89 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -52.81 148.05 14.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' N ' HD13 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.97 83.64 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' SER . . . -82.92 -138.36 3.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 m 67.71 -70.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -54.77 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.4 -145.55 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.45 33.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.86 -149.89 14.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.589 1.181 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.3 t 64.2 126.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.9 144.6 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.6 158.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.7 4.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.51 165.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.72 109.42 14.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 137.18 46.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -57.5 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.73 -129.3 7.43 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.71 150.55 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 0.725 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m 55.73 98.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.47 88.89 0.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD1' HG12 ' A' ' 30' ' ' VAL . 1.2 tp -106.03 168.98 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.64 111.37 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' CD1' ' A' ' 14' ' ' ILE . 15.3 pt-20 -60.2 -39.85 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 m -45.46 -41.99 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.74 -53.88 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mt -47.49 -52.94 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' CD1' ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.85 -54.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -62.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 21.4 mt -51.69 -50.66 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.72 -43.82 56.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -45.17 51.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -54.66 -18.24 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.19 13.2 13.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.64 153.52 55.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.96 128.92 11.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.9 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -40.06 -57.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.6 -43.49 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' MET . 93.6 m -62.49 -49.89 73.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.1 mtmt -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -55.99 -70.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 8' ' ' LEU . 94.0 t -38.79 -53.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -53.78 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.4 m-85 -42.07 -62.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 p -57.13 -26.71 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.21 39.74 12.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 53.51 101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.4 m -146.69 45.27 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.49 168.05 42.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -50.48 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.93 -57.53 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 2.0 ttp -37.87 -57.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.15 -59.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 25.8 t90 -46.85 -43.93 19.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.529 HG13 ' CE1' ' A' ' 54' ' ' PHE . 14.0 t -65.27 -50.72 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 49' ' ' MET . 27.9 mmt -52.84 -22.99 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 -62.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 5.4 m-70 -51.34 -41.16 60.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.5 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.72 -28.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' HIS . 38.7 t70 -52.81 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.72 146.05 37.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -12.77 21.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.52 28.02 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CE1' HG13 ' A' ' 45' ' ' VAL . 9.6 t80 -79.42 -44.2 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.82 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.32 170.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 59' ' ' ILE . 16.1 tp -97.39 141.34 30.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.9 mt 56.99 107.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -41.5 147.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.425 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.02 -132.32 1.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t -122.18 76.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -95.4 129.01 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.17 100.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.01 39.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.4 119.71 3.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.9 p -75.66 135.07 40.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.42 112.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.43 157.46 19.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 76.76 3.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.27 84.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.7 t -107.76 -59.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.049 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -177.76 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.92 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.84 -163.55 9.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -80.74 120.18 24.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.98 -59.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.946 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.1 -123.78 5.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -133.25 165.15 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.65 103.87 8.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -49.14 72.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -36.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.47 -51.86 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 mt -52.09 -48.61 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.6 mp -50.96 -48.76 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.29 -58.74 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 21.8 mt -50.75 -51.98 45.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.69 -39.67 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.87 -43.58 73.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.1 mtm -62.22 -20.11 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 57.42 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.38 157.59 77.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 116.93 4.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -40.6 -61.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 1.3 m-20 -40.32 -50.27 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . . . -64.43 -43.88 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' MET . 53.9 m -59.3 -30.68 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -34.37 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' NZ ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mtmm -59.97 -48.92 79.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -51.86 -69.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 48.9 t -43.11 -58.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -44.32 -71.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.8 m-85 -47.23 -57.03 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.2 p -58.93 -15.79 14.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 66.42 42.0 94.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 52.02 99.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -147.03 41.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.38 168.32 41.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.68 -48.68 14.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -61.6 1.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.36 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.58 -52.96 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -45.62 -52.94 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.47 -49.32 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.769 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 54.1 t90 -55.19 -44.44 75.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' HIS . 39.7 t -59.89 -71.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.401 ' CE ' ' HB ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.35 -24.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 m -85.74 -36.24 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.769 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -76.55 -53.77 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.463 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 21.2 ptm -39.21 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' HIS . 27.6 t70 -41.82 -38.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.08 154.74 37.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.56 18.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.93 28.12 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 11.1 t80 -89.86 -42.96 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.13 72.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 51.2 p-10 -40.64 156.74 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.38 14.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -96.8 130.95 43.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.49 131.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.53 154.87 52.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.66 -68.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -98.39 103.69 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 p -62.26 157.73 18.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.2 -166.47 31.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 41.17 61.64 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -154.76 96.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.99 168.97 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.75 117.36 11.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.67 4.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.2 m -88.94 84.85 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p -163.19 146.19 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m 64.01 131.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.26 -58.36 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.46 -74.45 0.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -127.75 145.23 50.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -55.67 171.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.93 -158.78 26.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.16 166.99 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 115.47 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 14' ' ' ILE . 12.0 pt-20 -69.88 -39.66 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.7 m -46.62 -35.58 6.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -75.02 -45.9 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' ILE . 43.2 mt -62.24 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 10' ' ' GLU . 1.3 mp -39.49 -56.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -48.67 -63.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.67 -49.21 14.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -59.3 -43.24 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.63 -39.11 73.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.5 mtm -63.38 -18.42 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.46 56.79 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.29 159.29 72.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 137.42 21.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.419 1.747 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -52.49 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 41.0 m-20 -40.24 -65.9 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -45.79 -48.07 15.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.1 m -58.04 -42.62 85.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -65.49 -35.1 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -60.02 -54.5 45.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.569 ' HB1' ' CE3' ' A' ' 44' ' ' TRP . . . -51.88 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.3 t -40.19 -56.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -51.85 -65.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 13.2 m-85 -49.9 -34.12 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.0 p -92.15 24.28 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.37 40.03 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.403 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 29.5 t30 44.06 56.67 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -47.58 48.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.68 160.65 23.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.36 -54.15 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -58.59 7.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.83 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.16 -52.81 8.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -39.47 -55.03 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.59 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 29.9 t90 -49.78 -44.29 48.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' MET . 42.0 t -65.18 -47.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.7 mmt -56.17 -23.69 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -37.59 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.7 m-70 -75.43 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.487 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.7 ptm -40.81 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 42.3 t0 -51.84 -36.74 49.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.79 153.5 37.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.93 28.1 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.4 t80 -96.79 -24.85 15.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.0 14.16 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.05 157.38 71.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.39 27.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 tp -92.17 129.15 38.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 71.13 137.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -47.67 154.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.26 -61.19 6.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.6 p 53.37 172.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.3 m 58.47 96.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -120.33 96.62 0.62 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 75.41 3.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.423 1.749 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.54 127.1 3.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.6 p -135.56 151.19 50.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.7 p 56.78 170.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.55 81.54 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.4 26.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.1 145.31 30.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -133.91 -59.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 p -51.85 152.73 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.59 -59.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.75 -61.5 0.48 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.57 79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 101.88 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.95 -150.17 9.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.09 173.51 11.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.81 114.23 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 11.5 pt-20 -69.55 -44.06 71.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -43.15 -36.9 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.03 -51.57 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 10' ' ' GLU . 7.8 mt -51.79 -47.11 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.7 mp -53.24 -50.17 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.47 -52.42 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.58 -47.46 85.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 42.5 t -60.27 -29.75 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -18.06 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.11 44.01 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.5 154.55 59.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.02 122.71 7.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.429 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -37.71 -63.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.4 m-20 -40.21 -57.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . . . -57.17 -43.33 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' MET . 23.2 m -58.37 -45.0 89.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -63.69 -37.19 86.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 33.2 mtmt -55.34 -50.99 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.543 ' HB3' ' CE3' ' A' ' 44' ' ' TRP . . . -54.91 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.1 t -40.34 -55.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -50.44 -67.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.64 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.3 m-85 -48.81 -37.1 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' GLY . 25.6 p -90.04 22.61 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.88 41.37 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t30 40.52 70.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -112.08 52.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.97 164.69 40.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.16 -58.81 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.18 -54.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.59 -55.81 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.96 -57.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -40.06 -56.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.773 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.6 t90 -48.6 -47.5 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' O ' ' CG ' ' A' ' 49' ' ' MET . 12.7 t -56.05 -68.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.474 ' HA ' ' CG ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -48.12 -22.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.43 -31.33 18.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.773 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.3 m-70 -88.36 -61.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.89 -28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -49.32 -29.68 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.03 161.44 30.99 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.88 28.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 25' ' ' ALA . 14.6 t80 -106.15 -42.83 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.08 -33.96 74.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.6 157.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.29 18.62 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.1 tp -82.91 132.45 35.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 mt 59.88 154.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -116.49 147.31 39.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.419 ' N ' HD11 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 88.64 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.39 -67.54 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 p 60.99 107.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.963 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.17 101.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.7 -73.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.25 105.77 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -177.98 137.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.9 -59.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.94 -145.51 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.53 12.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -60.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.09 109.6 14.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.63 110.87 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.81 ' HA ' HD12 ' A' ' 13' ' ' ILE . 17.4 pt-20 -73.96 -37.81 64.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -44.23 -41.6 5.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.64 -48.74 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 10' ' ' GLU . 13.3 mt -54.69 -53.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -44.44 -58.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.4 mt-30 -45.27 -65.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.595 HD21 ' HG3' ' A' ' 42' ' ' MET . 19.4 mt -46.12 -50.02 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.82 -33.31 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.6 mt-10 -72.87 -29.03 62.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.5 mtm -71.43 -18.64 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.55 52.72 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -133.19 157.99 76.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.0 124.76 8.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -42.34 -62.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' MET . 79.6 m-20 -40.2 -59.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.582 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.22 -44.62 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' HG23 ' A' ' 13' ' ' ILE . 99.3 m -60.6 -38.75 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.25 -18.9 60.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 25.1 mtmt -75.66 -49.8 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.735 ' O ' HG23 ' A' ' 33' ' ' THR . . . -52.86 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.9 t -42.82 -56.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -48.33 -70.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.3 m-85 -45.01 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.8 p -58.25 -23.44 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 76.42 39.26 31.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' GLY . 29.7 t-20 50.86 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -148.39 46.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.03 166.63 40.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.19 -52.23 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.91 -54.37 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.85 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -50.73 -55.56 16.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.595 ' HG3' HD21 ' A' ' 16' ' ' LEU . 3.5 mtt -46.55 -54.97 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -42.28 -58.6 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 32' ' ' TYR . 71.8 t90 -47.22 -41.58 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 108.034 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.706 HG13 ' CE1' ' A' ' 54' ' ' PHE . 12.0 t -68.16 -49.57 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -56.07 -25.07 43.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -47.33 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -63.57 -55.13 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.4 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 24.3 ptm -40.37 -28.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 19.0 t0 -50.39 -32.64 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.4 153.27 38.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -9.4 20.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.9 27.38 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CE1' HG13 ' A' ' 45' ' ' VAL . 3.7 t80 -89.03 -50.51 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -40.55 155.96 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' CD1' HG12 ' A' ' 30' ' ' VAL . 3.0 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 112.48 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.923 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.0 pt-20 -70.89 -46.86 61.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -42.16 -38.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.001 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -71.92 -45.64 63.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' A' ' 10' ' ' GLU . 12.5 mt -57.71 -50.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.7 mp -48.53 -49.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.0 -61.72 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.54 -51.71 45.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.69 -37.78 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.87 -41.06 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mtm -62.81 -16.61 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.25 52.48 0.77 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -128.4 158.73 70.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.46 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 123.84 8.16 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -46.77 -61.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.26 -55.64 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 54' ' ' PHE . . . -59.06 -41.07 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' MET . 33.9 m -60.87 -41.56 96.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.7 mtp180 -71.34 -21.12 62.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 24.4 mtmt -73.37 -48.75 31.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 33' ' ' THR . . . -55.04 -67.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.427 HG12 ' CD1' ' A' ' 8' ' ' LEU . 84.7 t -43.79 -53.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -50.99 -71.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.679 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -44.54 -57.06 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.6 p -58.73 -25.71 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.29 46.04 9.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 47.52 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.764 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -143.79 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 166.7 31.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.89 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -45.9 -58.95 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -52.33 -62.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.576 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -46.01 -51.75 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -43.29 -53.43 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -41.56 -56.84 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.8 t90 -48.19 -44.7 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.703 HG13 ' CE1' ' A' ' 54' ' ' PHE . 48.4 t -66.4 -48.2 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -49.97 -25.47 3.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -92.31 -53.52 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -56.84 -47.48 80.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.502 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 3.8 ptt? -44.74 -25.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -88.85 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.95 152.59 11.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -12.56 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 m-20 -92.48 28.19 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.703 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.1 t80 -95.49 -42.21 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.91 19.2 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 42.6 p-10 -92.18 157.22 41.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 1.1 m-20 -119.68 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.863 ' HA ' HD12 ' A' ' 13' ' ' ILE . 12.7 pt-20 -69.02 -43.13 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -42.93 -35.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.54 -53.41 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 10' ' ' GLU . 10.5 mt -50.69 -50.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -48.89 -53.21 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.61 -60.86 2.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.39 -50.15 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.13 -36.8 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -26.74 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.7 mtt -78.13 -13.16 59.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.46 49.66 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -125.5 157.77 66.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 131.25 14.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' ARG . 6.5 mtp -46.61 -63.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.4 m-20 -40.4 -64.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -47.96 -46.71 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' HG23 ' A' ' 13' ' ' ILE . 8.9 m -58.04 -41.81 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' MET . 10.1 mtp180 -66.86 -34.88 78.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.4 mtmt -57.9 -50.9 71.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.16 -70.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG13 ' HA ' ' A' ' 35' ' ' ASN . 61.9 t -40.29 -55.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' HA ' HD11 ' A' ' 8' ' ' LEU . 26.9 t80 -48.95 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 23.0 m-85 -48.99 -37.58 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 29' ' ' ALA . 26.8 p -89.42 21.02 3.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.09 46.26 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.57 ' HA ' HG13 ' A' ' 30' ' ' VAL . 21.7 t-20 40.64 67.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.54 -40.11 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.17 156.39 9.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.66 -61.55 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.12 -57.76 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.8 -62.36 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -48.27 -51.35 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.4 ttp -37.94 -55.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.26 -52.1 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 40.2 t90 -52.8 -42.87 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.047 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.596 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 43.0 t -65.1 -48.77 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 mmt -59.07 -20.87 57.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.87 -24.99 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.785 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.7 m-70 -91.95 -62.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -41.39 -27.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -49.65 -23.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.32 157.87 48.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -4.67 15.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.22 28.0 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.688 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.1 t80 -97.67 -43.32 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.41 69.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -40.52 157.36 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.565 ' HG ' HG12 ' A' ' 30' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.1 127.48 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.894 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.3 pt-20 -80.59 -38.51 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.2 t -47.98 -37.17 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.6 -40.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.894 HD12 ' HA ' ' A' ' 10' ' ' GLU . 19.3 mt -63.8 -52.17 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -46.27 -52.27 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.92 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.434 HD21 ' HG3' ' A' ' 42' ' ' MET . 25.1 mt -48.26 -51.77 24.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' HE3' ' A' ' 23' ' ' MET . 72.6 t -56.83 -38.14 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.68 -37.57 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mtm -66.81 -19.02 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.76 55.08 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -130.94 158.37 75.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.04 134.11 17.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.496 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -48.32 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -39.8 -59.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -49.23 -45.25 44.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' MET . 68.8 m -62.38 -56.3 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -53.64 -34.49 58.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -59.19 -57.01 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 33' ' ' THR . . . -49.55 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG12 ' HG ' ' A' ' 8' ' ' LEU . 47.9 t -43.01 -59.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.542 ' HA ' HD11 ' A' ' 8' ' ' LEU . 33.0 t80 -47.85 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.657 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 18.2 m-85 -48.29 -41.95 29.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 29' ' ' ALA . 23.5 p -89.46 20.22 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.39 46.36 1.43 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' HG13 ' A' ' 30' ' ' VAL . 30.6 t30 40.24 85.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -124.46 47.03 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.0 169.41 35.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.37 -54.34 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -59.43 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.25 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.64 -56.47 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -39.22 -57.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -41.33 -57.61 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 32.0 t90 -46.59 -44.87 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 108.015 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' A' ' 54' ' ' PHE . 59.8 t -67.54 -56.9 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -37.94 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.3 m -92.2 -58.12 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.6 m-70 -49.03 -39.35 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.495 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -57.9 -15.72 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.71 42.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.8 152.7 16.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.63 20.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 16.7 p-10 -92.61 28.22 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.8 t80 -85.57 -49.85 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.05 72.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m-20 -40.97 157.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 31' ' ' TYR . 1.2 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.93 111.64 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.917 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.8 pt-20 -64.37 -38.04 89.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -46.58 -38.63 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.57 -45.98 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.5 mt -58.25 -49.67 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -49.58 -55.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -48.65 -57.38 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.99 -49.53 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 23' ' ' MET . 92.5 t -59.73 -32.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.7 mm-40 -63.5 -41.6 98.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -26.41 67.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.17 57.91 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.41 161.34 61.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.91 13.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.655 ' HG2' HG21 ' A' ' 17' ' ' VAL . 12.4 mtp -52.85 -55.67 21.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -55.71 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.76 -38.68 86.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.672 ' CB ' HG23 ' A' ' 13' ' ' ILE . 93.7 m -61.94 -38.21 87.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.8 -18.85 59.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 26.6 mtmt -77.22 -50.51 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.78 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -55.16 -65.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 35' ' ' ASN . 81.6 t -40.49 -55.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HA ' HD11 ' A' ' 8' ' ' LEU . 37.7 t80 -51.96 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.3 m-85 -50.85 -21.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 36.6 p -108.67 26.49 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.06 31.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' HG13 ' A' ' 30' ' ' VAL . 20.1 t30 50.61 66.56 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.59 -47.87 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.14 162.06 26.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.82 -58.32 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -60.45 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -50.88 -51.78 48.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.78 -55.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.12 -55.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.78 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 32.2 t90 -49.7 -44.63 48.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.519 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 48.1 t -65.43 -51.1 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 mmt -49.0 -26.14 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -88.79 -64.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.2 m-70 -47.44 -43.48 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.573 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -53.02 -19.17 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 47' ' ' SER . 22.4 t0 -60.48 -30.26 69.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 148.26 34.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.99 19.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.73 27.82 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.836 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 10.7 t80 -93.27 -27.87 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 6.31 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -78.55 171.55 12.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -130.35 92.42 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.808 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.13 -47.58 34.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -39.88 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -71.83 -45.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 10' ' ' GLU . 14.9 mt -59.12 -51.08 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.6 mp -47.65 -48.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.08 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD21 ' CG ' ' A' ' 42' ' ' MET . 16.4 mt -48.34 -50.65 29.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.95 -34.89 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -62.01 -34.07 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.3 mtp -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.25 56.21 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.39 156.09 80.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 118.26 5.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -37.91 -62.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.3 m-20 -40.35 -59.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.595 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.69 -45.3 66.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB3' HG23 ' A' ' 13' ' ' ILE . 65.1 m -59.55 -39.1 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -74.36 -21.61 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.511 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.9 mtmt -72.77 -49.64 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.698 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -55.03 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 58.8 t -39.71 -54.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -51.36 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -57.4 -54.19 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.406 ' H ' ' HG1' ' A' ' 33' ' ' THR . 32.3 p -58.44 -24.95 61.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.39 46.77 8.66 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 40.7 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.44 37.77 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.5 172.11 30.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.25 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.77 -52.18 43.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -60.95 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.491 ' CG ' HD21 ' A' ' 16' ' ' LEU . 56.4 mtt -40.79 -54.65 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -41.07 -60.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.5 t90 -45.15 -42.68 9.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.766 HG13 ' CE1' ' A' ' 54' ' ' PHE . 9.8 t -67.26 -48.9 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -58.73 -20.02 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.3 -51.11 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.2 m-70 -59.89 -53.14 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.418 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 23.2 ptm -41.64 -27.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -49.73 -31.58 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 154.71 40.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -6.82 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.34 28.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CE1' HG13 ' A' ' 45' ' ' VAL . 6.6 t80 -94.68 -25.79 16.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 12.23 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.56 157.33 74.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.82 112.57 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.845 ' HA ' HD12 ' A' ' 13' ' ' ILE . 14.3 pt-20 -67.89 -38.57 83.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -47.45 -39.94 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -68.79 -45.29 81.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 10' ' ' GLU . 12.7 mt -58.23 -52.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -47.03 -54.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.41 -55.82 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.15 -49.19 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.2 t -58.25 -41.13 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.1 -37.14 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.9 mtt -66.44 -12.84 59.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.35 36.56 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -111.86 156.24 41.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.08 124.72 8.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -47.52 -60.62 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 2.1 m-20 -40.29 -55.78 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.869 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.52 -45.51 93.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HB3' HG23 ' A' ' 13' ' ' ILE . 27.5 m -56.61 -32.07 64.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.9 mtp180 -78.32 -21.23 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.3 mtmp? -74.47 -50.03 19.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.811 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.11 -68.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 35' ' ' ASN . 54.1 t -40.99 -57.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' HA ' HD11 ' A' ' 8' ' ' LEU . 39.1 t80 -47.82 -68.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 21.0 m-85 -48.48 -37.52 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 29' ' ' ALA . 27.2 p -90.38 24.08 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.81 33.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 18.2 t30 47.22 87.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.76 57.84 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.6 164.92 40.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.14 -54.93 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.24 -61.93 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.43 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -42.07 -54.71 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.1 ttm -38.29 -56.71 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -40.81 -54.5 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.811 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 40.1 t90 -50.47 -47.27 57.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.613 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 62.8 t -61.79 -40.61 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.97 -25.44 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -90.14 -21.16 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.775 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 m-70 -91.91 -56.66 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.4 ptm -41.59 -27.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' HIS . 1.4 t0 -53.43 -38.33 63.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.72 151.96 38.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.65 11.51 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 13.2 m-20 -93.68 25.58 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.869 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 7.8 t80 -96.61 -48.19 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.12 67.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 45.6 p-10 -44.68 157.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.443 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.95 104.73 10.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.2 pt-20 -72.25 -38.02 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -42.16 -38.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.87 -56.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 10' ' ' GLU . 6.6 mt -48.58 -46.47 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -53.12 -54.26 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.84 -60.75 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 12.5 mt -48.23 -47.71 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 t -62.2 -39.01 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.32 -32.98 74.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 87.5 mtp -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.62 61.17 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.38 161.99 47.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.517 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' CYS . 10.9 ttm -46.19 -63.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 85.6 m-20 -39.99 -55.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.627 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.41 -43.3 83.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' MET . 50.9 m -59.26 -41.41 88.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -31.25 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -61.33 -51.92 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.54 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.635 HG21 HG13 ' A' ' 13' ' ' ILE . 98.2 t -39.97 -55.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.0 m-85 -51.18 -36.41 41.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.4 p -90.47 21.22 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 37.22 39.49 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 45.75 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -34.22 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.19 10.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.59 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.74 -59.08 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.04 -58.21 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -52.24 -55.26 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -37.94 -56.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -41.86 -60.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 57.1 t90 -46.06 -41.83 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.748 HG13 ' CE1' ' A' ' 54' ' ' PHE . 7.1 t -67.6 -49.67 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 mmt -56.63 -20.81 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.16 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -69.48 -51.81 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptm -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 49' ' ' MET . 23.8 t70 -51.78 -36.35 47.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 150.24 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.2 p30 -92.09 21.99 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CE1' HG13 ' A' ' 45' ' ' VAL . 8.1 t80 -89.06 -41.73 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.13 80.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 4.7 m-20 -41.09 157.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -135.07 104.15 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.2 mp0 -58.25 -44.98 88.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -40.97 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.19 -44.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 10' ' ' GLU . 8.1 mt -58.98 -51.36 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -47.81 -51.01 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -49.63 -59.84 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 ' HG2' ' A' ' 42' ' ' MET . 12.9 mt -49.03 -51.26 32.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 ' HE3' ' A' ' 23' ' ' MET . 53.2 t -58.64 -38.29 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -37.8 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.03 -15.98 63.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.88 56.18 0.63 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -134.35 158.54 74.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.554 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -50.66 -62.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 15.5 m-20 -40.04 -57.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -53.66 -44.54 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' CB ' HG23 ' A' ' 13' ' ' ILE . 61.6 m -60.01 -47.62 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -63.33 -31.38 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.6 mtmt -63.65 -50.39 69.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.754 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.93 -67.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 35' ' ' ASN . 75.3 t -41.24 -55.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -49.62 -66.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.1 m-85 -52.73 -30.36 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 29' ' ' ALA . 74.5 p -94.05 24.83 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.74 35.43 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' HA ' HG13 ' A' ' 30' ' ' VAL . 25.6 t30 43.47 60.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.73 57.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.86 160.82 36.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.7 -56.23 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.88 -55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -49.49 -51.85 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.571 ' HG2' HD21 ' A' ' 16' ' ' LEU . 1.3 mtm -47.79 -53.67 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.69 -49.42 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 34.2 t90 -55.58 -45.41 77.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.822 HG13 ' CE1' ' A' ' 54' ' ' PHE . 38.8 t -58.4 -72.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -43.28 -26.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -82.33 -60.31 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 1.4 m-70 -53.86 -44.48 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.477 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 2.4 ppp? -40.69 -27.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 48' ' ' HIS . 86.9 m-20 -45.56 -51.68 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 154.05 57.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.24 16.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.4 m-20 -92.3 25.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.822 ' CE1' HG13 ' A' ' 45' ' ' VAL . 10.7 t80 -86.8 -24.09 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.87 20.17 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 6.1 m-20 -90.5 157.44 44.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.65 107.49 14.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.875 ' HA ' HD12 ' A' ' 13' ' ' ILE . 18.3 pt-20 -69.06 -41.26 77.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -37.93 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG13 ' HA ' ' A' ' 38' ' ' ALA . 23.9 t -70.34 -44.3 77.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.4 mt -60.92 -48.71 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.5 mp -50.76 -49.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -55.66 -55.38 32.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.51 -51.02 58.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' SD ' ' A' ' 23' ' ' MET . 61.8 t -62.83 -29.92 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.12 -31.24 71.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.2 mtm -75.03 -28.14 60.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.73 49.28 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.1 157.57 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.01 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -42.86 -61.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.21 -53.71 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 54' ' ' PHE . . . -59.54 -43.69 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' MET . 56.5 m -60.32 -36.38 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -73.5 -24.18 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 30.6 mtmt -70.12 -50.12 43.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.869 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -53.97 -71.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 99.4 t -40.24 -55.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -48.84 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -53.42 -54.82 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 20.7 p -58.13 -25.38 61.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 79.11 45.98 8.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 45.2 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.79 -36.63 3.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.59 150.86 5.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -41.73 -62.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.44 -61.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -50.05 -53.18 28.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -40.62 -55.06 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -39.81 -59.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.869 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 43.0 t90 -45.08 -47.7 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.744 HG13 ' CE1' ' A' ' 54' ' ' PHE . 60.8 t -64.09 -50.65 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.4 mmt -45.71 -27.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -62.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 18.3 m-70 -47.59 -36.97 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.48 -17.37 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.58 39.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.9 152.44 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.455 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 p-10 -92.59 28.21 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.744 ' CE1' HG13 ' A' ' 45' ' ' VAL . 41.2 t80 -94.05 -22.17 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.37 21.16 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 3.1 m-20 -90.91 157.43 43.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 112.04 24.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.83 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.5 pt-20 -74.13 -38.84 63.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 6.1 m -46.88 -37.62 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 38' ' ' ALA . 25.6 t -71.71 -47.34 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 10' ' ' GLU . 19.9 mt -56.06 -52.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.44 -55.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.2 -61.1 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -47.67 -50.95 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.12 -33.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -61.69 -37.36 83.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -22.81 66.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 47.55 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.07 155.04 71.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -44.01 -62.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -56.25 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.694 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -59.3 -41.71 89.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.565 ' HB3' HG23 ' A' ' 13' ' ' ILE . 21.2 m -59.19 -41.43 88.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -65.97 -35.51 80.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -56.96 -50.93 71.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 33' ' ' THR . . . -52.38 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 86.7 t -41.91 -57.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -47.03 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.736 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -45.86 -56.41 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.855 HG21 ' HA ' ' A' ' 41' ' ' ALA . 51.2 p -58.09 -22.46 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.44 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 75.72 39.45 34.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 49.02 89.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -117.87 -37.74 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.63 156.59 8.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -47.75 -59.94 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.97 -58.22 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.81 -62.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.855 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -54.83 -51.79 64.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.95 -55.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.44 -57.52 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.789 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 80.4 t90 -47.29 -44.63 23.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 48.3 t -67.02 -57.63 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.6 mmt -41.44 -30.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 4.3 m -91.37 -54.19 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.4 m-70 -52.26 -44.36 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -17.93 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 47' ' ' SER . 7.6 t0 -52.82 -50.22 64.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 152.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 t0 -92.49 28.11 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.694 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.7 t80 -93.4 -43.13 8.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 51.6 p-10 -41.33 156.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 31' ' ' TYR . 2.5 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 95.09 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.795 ' HA ' HD12 ' A' ' 13' ' ' ILE . 4.3 mp0 -55.63 -51.77 66.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.01 -41.17 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.68 -47.62 69.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.3 mt -56.05 -49.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.5 mp -50.22 -50.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -51.98 -54.46 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.2 -48.08 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 46.4 t -62.25 -28.99 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.7 mm-40 -66.49 -33.99 76.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -19.24 64.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.41 49.79 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -128.99 156.12 78.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.03 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -44.59 -62.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.19 -45.0 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.549 ' CB ' HG23 ' A' ' 13' ' ' ILE . 64.2 m -60.34 -46.41 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.16 -31.1 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -62.66 -53.32 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.774 ' O ' HG23 ' A' ' 33' ' ' THR . . . -53.66 -67.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 35' ' ' ASN . 68.1 t -40.55 -57.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.439 ' HA ' HD11 ' A' ' 8' ' ' LEU . 43.2 t80 -49.68 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 20.3 m-85 -49.55 -34.65 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.9 p -94.55 22.24 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.25 40.48 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' HA ' HG13 ' A' ' 30' ' ' VAL . 43.6 t-20 45.05 84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.5 m -124.28 57.31 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.06 168.69 45.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.01 -53.89 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.83 -59.21 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -47.82 -65.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -54.56 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.38 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.85 -56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.01 -56.35 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 34.1 t90 -48.44 -46.4 37.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 ' CE1' ' A' ' 54' ' ' PHE . 59.2 t -64.4 -53.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.3 mmt -43.4 -27.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 -63.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.754 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 7.9 m-70 -47.76 -36.79 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.488 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.54 -17.56 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -94.99 40.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.87 153.55 26.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.87 28.01 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE1' HG13 ' A' ' 45' ' ' VAL . 35.9 t80 -88.09 -57.97 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.75 88.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.45 157.28 0.17 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 8' ' ' LEU . 9.8 tp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -73.93 93.92 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.69 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -62.9 -47.66 82.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -40.13 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.59 -52.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 10' ' ' GLU . 11.8 mt -52.52 -49.91 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -48.35 -54.97 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -45.29 -66.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.8 mt -45.0 -51.47 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.65 -41.1 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -38.44 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -62.99 -23.23 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 58.8 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -137.01 162.1 57.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 129.63 12.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -50.64 -62.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.1 m-20 -40.18 -55.94 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.753 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -59.61 -41.73 91.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' MET . 19.1 m -58.95 -43.9 91.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -63.45 -35.82 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -58.08 -60.13 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' THR . . . -48.89 -62.23 1.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 HG13 ' A' ' 13' ' ' ILE . 55.3 t -49.04 -55.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -50.58 -66.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.699 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.6 m-85 -47.6 -46.42 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' ALA . 24.3 p -87.14 14.65 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' ' ND2' ' A' ' 35' ' ' ASN . . . 37.39 53.6 1.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 34' ' ' GLY . 0.6 OUTLIER 39.4 53.93 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.4 m -88.76 41.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 135.48 7.47 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.74 -58.57 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 -57.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.66 -65.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -40.6 -51.6 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 ttp -47.45 -54.74 10.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -44.31 -51.21 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 47.2 t90 -53.05 -45.43 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 29' ' ' ALA . 72.5 t -62.15 -57.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -47.76 -23.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -29.8 16.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.7 m-70 -84.85 -60.08 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.48 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -44.89 -25.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -50.72 -22.79 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.54 155.72 45.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.74 20.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -92.57 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.753 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 9.0 t80 -91.88 -47.27 7.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.23 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -45.99 155.53 0.51 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -136.45 113.15 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.993 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.1 pt-20 -72.11 -38.42 69.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.5 m -48.71 -34.42 11.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -73.72 -40.24 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.993 HD12 ' HA ' ' A' ' 10' ' ' GLU . 15.8 mt -63.41 -51.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -46.44 -54.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.84 -61.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 17.7 mt -46.77 -50.01 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.18 -40.24 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -39.57 73.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -22.28 66.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.01 45.11 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.44 154.43 66.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 120.6 6.14 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -41.25 -62.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -40.34 -55.09 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.713 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.8 -40.35 92.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.567 ' CB ' HG23 ' A' ' 13' ' ' ILE . 52.8 m -60.35 -41.26 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 8.3 mtp180 -66.9 -32.78 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.3 mtmt -60.17 -50.64 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.754 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.26 -68.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG12 ' HG ' ' A' ' 8' ' ' LEU . 62.9 t -40.69 -56.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.636 ' HA ' HD11 ' A' ' 8' ' ' LEU . 40.6 t80 -48.1 -67.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -48.81 -38.63 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' ALA . 22.9 p -89.89 21.5 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.29 38.2 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' HG13 ' A' ' 30' ' ' VAL . 14.8 t30 46.76 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 12.8 m -129.41 55.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.39 167.16 43.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.64 -57.29 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -43.25 -57.95 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -51.5 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -56.12 4.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.2 mtm -38.7 -55.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.25 -53.88 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 26.7 t90 -51.23 -44.19 61.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 108.018 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 42.1 t -64.24 -48.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -58.33 -23.57 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -22.37 20.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.4 m-70 -92.11 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -39.4 -28.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -44.81 -35.91 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.76 152.65 38.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.32 28.09 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.8 t80 -92.88 -37.96 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.19 -16.45 63.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.2 157.38 2.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 13' ' ' ILE . 2.7 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -120.42 99.18 6.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HA ' HD12 ' A' ' 13' ' ' ILE . 13.2 mp0 -59.37 -51.42 70.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -39.36 -40.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.63 -50.62 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 10' ' ' GLU . 6.2 mt -53.62 -49.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.9 mp -51.84 -48.59 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.0 -53.89 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 42' ' ' MET . 18.6 mt -58.17 -50.04 74.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.07 -35.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.96 -38.61 67.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.9 mtm -68.15 -9.71 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.59 51.77 1.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -127.51 159.33 66.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.522 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.05 141.94 27.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.2 mtp -59.71 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' MET . 16.6 m-20 -39.72 -61.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.737 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -48.8 -46.29 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 m -59.96 -50.83 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -58.31 -39.05 78.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.4 mtmt -52.94 -52.55 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.674 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -52.0 -71.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 39.6 t -42.83 -57.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -44.14 -64.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -53.01 -55.78 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 14.6 p -58.23 -19.82 36.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 70.51 53.94 11.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 44.08 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.721 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 11.8 m -138.03 44.33 2.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.46 166.72 37.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.91 -53.75 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.75 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.492 ' HG3' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -40.96 -56.01 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 t-20 -40.13 -58.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.8 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 55.8 t90 -46.88 -46.6 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.706 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 49.6 t -64.2 -48.34 86.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.1 mmt -53.13 -23.67 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -47.68 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.7 m-70 -63.78 -52.43 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -47.2 -23.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.79 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -94.23 28.06 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.737 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 4.6 t80 -95.57 -51.53 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . . . -59.5 -28.41 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' ALA . 30.0 p-10 -40.46 157.31 0.17 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.89 107.31 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.818 ' HA ' HD12 ' A' ' 13' ' ' ILE . 20.5 pt-20 -69.24 -38.02 78.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -42.64 -43.26 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 38' ' ' ALA . 25.3 t -68.15 -48.12 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.966 HG23 ' CB ' ' A' ' 26' ' ' CYS . 8.0 mt -56.17 -50.91 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -48.68 -54.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.43 -50.8 51.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.48 -50.43 73.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.18 -31.29 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -41.52 98.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.6 mtm -59.32 -29.47 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.15 52.9 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -130.21 157.77 76.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.78 6.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.97 -57.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.17 -53.72 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.814 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.26 -43.86 83.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.966 ' CB ' HG23 ' A' ' 13' ' ' ILE . 88.6 m -61.65 -42.62 99.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -71.64 -17.48 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 21.8 mtmt -78.3 -57.14 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -47.25 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.7 t -44.95 -61.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.13 -59.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 29.6 m-85 -57.18 -55.6 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 31.7 p -59.89 -14.74 16.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 68.28 38.58 87.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 56.18 103.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 m -129.62 -45.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.04 159.1 11.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -51.13 -58.77 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -58.63 7.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -53.4 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.51 -53.18 60.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.68 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.29 -57.82 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.8 t90 -47.43 -43.82 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 54' ' ' PHE . 35.2 t -66.78 -46.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 mmt -58.86 -23.49 60.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -90.04 -47.31 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -62.76 -53.11 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.4 ptm -40.96 -27.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' HIS . 51.0 t0 -47.82 -31.81 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -101.63 149.22 36.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.53 21.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.456 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 1.3 m-20 -92.48 25.37 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.814 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 7.6 t80 -83.53 -46.38 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.93 84.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.8 m-20 -40.98 155.64 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 30' ' ' VAL . 1.2 tp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.64 111.37 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.796 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.3 pt-20 -60.2 -39.85 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 m -45.46 -41.99 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.74 -53.88 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 10' ' ' GLU . 10.0 mt -47.49 -52.94 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.85 -54.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -62.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 21.4 mt -51.69 -50.66 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.72 -43.82 56.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -45.17 51.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -54.66 -18.24 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.19 13.2 13.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.64 153.52 55.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.96 128.92 11.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.9 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -40.06 -57.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.6 -43.49 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' MET . 93.6 m -62.49 -49.89 73.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.1 mtmt -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.521 ' HB2' HG22 ' A' ' 45' ' ' VAL . . . -55.99 -70.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 8' ' ' LEU . 94.0 t -38.79 -53.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -53.78 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.4 m-85 -42.07 -62.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 p -57.13 -26.71 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.21 39.74 12.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 53.51 101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.4 m -146.69 45.27 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.49 168.05 42.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -50.48 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -43.93 -57.53 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.464 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 2.0 ttp -37.87 -57.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.15 -59.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 25.8 t90 -46.85 -43.93 19.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.806 HG13 ' CE1' ' A' ' 54' ' ' PHE . 14.0 t -65.27 -50.72 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE2' ' HG2' ' A' ' 42' ' ' MET . 27.9 mmt -52.84 -22.99 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 -62.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 5.4 m-70 -51.34 -41.16 60.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.482 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.72 -28.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' HIS . 38.7 t70 -52.81 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.72 146.05 37.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -12.77 21.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.52 28.02 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.806 ' CE1' HG13 ' A' ' 45' ' ' VAL . 9.6 t80 -79.42 -44.2 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.82 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.32 170.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.65 103.87 8.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.87 ' HA ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -64.41 -49.14 72.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -36.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.47 -51.86 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 10' ' ' GLU . 9.0 mt -52.09 -48.61 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.6 mp -50.96 -48.76 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.29 -58.74 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 21.8 mt -50.75 -51.98 45.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.69 -39.67 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.87 -43.58 73.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.1 mtm -62.22 -20.11 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 57.42 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.38 157.59 77.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 116.93 4.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -40.6 -61.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 1.3 m-20 -40.32 -50.27 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -64.43 -43.88 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' HG23 ' A' ' 13' ' ' ILE . 53.9 m -59.3 -30.68 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -34.37 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mtmm -59.97 -48.92 79.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 33' ' ' THR . . . -51.86 -69.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 48.9 t -43.11 -58.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -44.32 -71.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.8 m-85 -47.23 -57.03 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 29' ' ' ALA . 47.2 p -58.93 -15.79 14.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 66.42 42.0 94.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 52.02 99.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -147.03 41.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.38 168.32 41.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.68 -48.68 14.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -61.6 1.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.36 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -42.58 -52.96 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -45.62 -52.94 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.47 -49.32 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.769 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 54.1 t90 -55.19 -44.44 75.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.526 HG22 ' HB2' ' A' ' 29' ' ' ALA . 39.7 t -59.89 -71.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.402 ' CE ' ' HB ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.35 -24.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 m -85.74 -36.24 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.769 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -76.55 -53.77 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.442 ' HA ' ' CB ' ' A' ' 54' ' ' PHE . 21.2 ptm -39.21 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' HIS . 27.6 t70 -41.82 -38.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.08 154.74 37.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.56 18.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.93 28.12 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.641 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 11.1 t80 -89.86 -42.96 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.13 72.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 51.2 p-10 -40.64 156.74 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 115.47 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 14' ' ' ILE . 12.0 pt-20 -69.88 -39.66 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.7 m -46.62 -35.58 6.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 38' ' ' ALA . 24.3 t -75.02 -45.9 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.614 HG23 ' HB3' ' A' ' 26' ' ' CYS . 43.2 mt -62.24 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -39.49 -56.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -48.67 -63.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.67 -49.21 14.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.511 HG11 ' HE3' ' A' ' 23' ' ' MET . 10.9 t -59.3 -43.24 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.63 -39.11 73.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.5 mtm -63.38 -18.42 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.46 56.79 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.29 159.29 72.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 137.42 21.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.419 1.747 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.511 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -52.49 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 41.0 m-20 -40.24 -65.9 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -45.79 -48.07 15.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.614 ' HB3' HG23 ' A' ' 13' ' ' ILE . 17.1 m -58.04 -42.62 85.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -65.49 -35.1 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -60.02 -54.5 45.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 33' ' ' THR . . . -51.88 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 35' ' ' ASN . 79.3 t -40.19 -56.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -51.85 -65.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 13.2 m-85 -49.9 -34.12 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 29' ' ' ALA . 30.0 p -92.15 24.28 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.37 40.03 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.41 ' HA ' HG13 ' A' ' 30' ' ' VAL . 29.5 t30 44.06 56.67 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -47.58 48.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.68 160.65 23.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.627 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -55.36 -54.15 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -58.59 7.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.83 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -45.16 -52.81 8.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -39.47 -55.03 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.59 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.804 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 29.9 t90 -49.78 -44.29 48.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 42.0 t -65.18 -47.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.7 mmt -56.17 -23.69 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -37.59 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.7 m-70 -75.43 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.7 ptm -40.81 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 42.3 t0 -51.84 -36.74 49.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.79 153.5 37.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.93 28.1 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.71 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.4 t80 -96.79 -24.85 15.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.0 14.16 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.05 157.38 71.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.81 114.23 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.967 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.5 pt-20 -69.55 -44.06 71.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -43.15 -36.9 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.03 -51.57 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.967 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.8 mt -51.79 -47.11 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.78 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.7 mp -53.24 -50.17 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.47 -52.42 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 45' ' ' VAL . 9.5 mt -59.58 -47.46 85.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 42.5 t -60.27 -29.75 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -18.06 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.11 44.01 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.5 154.55 59.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.02 122.71 7.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.404 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -37.71 -63.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.4 m-20 -40.21 -57.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.17 -43.33 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.613 ' HB3' HG23 ' A' ' 13' ' ' ILE . 23.2 m -58.37 -45.0 89.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -63.69 -37.19 86.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 33.2 mtmt -55.34 -50.99 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.91 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 35' ' ' ASN . 87.1 t -40.34 -55.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -50.44 -67.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.64 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.3 m-85 -48.81 -37.1 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.6 p -90.04 22.61 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.88 41.37 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HA ' HG13 ' A' ' 30' ' ' VAL . 18.1 t30 40.52 70.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -112.08 52.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.97 164.69 40.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.16 -58.81 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.18 -54.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -48.59 -55.81 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.96 -57.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -40.06 -56.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.773 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.6 t90 -48.6 -47.5 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 16' ' ' LEU . 12.7 t -56.05 -68.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -48.12 -22.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.43 -31.33 18.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.773 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.3 m-70 -88.36 -61.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.89 -28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -49.32 -29.68 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.03 161.44 30.99 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.88 28.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.617 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 14.6 t80 -106.15 -42.83 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.08 -33.96 74.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.6 157.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -145.82 131.09 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 92.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -54.84 -76.19 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.97 -61.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 73.2 m 64.68 157.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.35 102.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp 55.7 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.63 110.87 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.81 ' HA ' HD12 ' A' ' 13' ' ' ILE . 17.4 pt-20 -73.96 -37.81 64.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -44.23 -41.6 5.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.64 -48.74 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 10' ' ' GLU . 13.3 mt -54.69 -53.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -44.44 -58.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.4 mt-30 -45.27 -65.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.595 HD21 ' HG3' ' A' ' 42' ' ' MET . 19.4 mt -46.12 -50.02 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.82 -33.31 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.6 mt-10 -72.87 -29.03 62.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.5 mtm -71.43 -18.64 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.55 52.72 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -133.19 157.99 76.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.0 124.76 8.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -42.34 -62.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' MET . 79.6 m-20 -40.2 -59.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.582 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.22 -44.62 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' HG23 ' A' ' 13' ' ' ILE . 99.3 m -60.6 -38.75 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.25 -18.9 60.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 25.1 mtmt -75.66 -49.8 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.735 ' O ' HG23 ' A' ' 33' ' ' THR . . . -52.86 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.9 t -42.82 -56.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -48.33 -70.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.3 m-85 -45.01 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.8 p -58.25 -23.44 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 76.42 39.26 31.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' GLY . 29.7 t-20 50.86 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -148.39 46.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.03 166.63 40.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.19 -52.23 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.91 -54.37 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.85 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -50.73 -55.56 16.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.595 ' HG3' HD21 ' A' ' 16' ' ' LEU . 3.5 mtt -46.55 -54.97 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -42.28 -58.6 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 32' ' ' TYR . 71.8 t90 -47.22 -41.58 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 108.034 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.706 HG13 ' CE1' ' A' ' 54' ' ' PHE . 12.0 t -68.16 -49.57 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -56.07 -25.07 43.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -47.33 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -63.57 -55.13 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.4 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 24.3 ptm -40.37 -28.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 19.0 t0 -50.39 -32.64 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.4 153.27 38.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -9.4 20.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.9 27.38 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CE1' HG13 ' A' ' 45' ' ' VAL . 3.7 t80 -89.03 -50.51 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -40.55 155.96 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -178.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 162.35 23.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -40.61 137.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.49 154.79 37.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.44 3.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.91 80.31 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.03 124.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 p -118.72 -57.28 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.27 80.98 0.32 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.73 41.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.82 69.48 0.53 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -141.46 149.61 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 -60.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.38 95.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 126.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.8 t -55.55 -59.69 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.31 158.31 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.9 98.73 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -173.33 138.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 138.27 4.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.087 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.57 161.99 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -89.96 168.67 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.1 -179.49 46.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' CD1' HG12 ' A' ' 30' ' ' VAL . 3.0 tp -106.88 163.12 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 112.48 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.923 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.0 pt-20 -70.89 -46.86 61.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -42.16 -38.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.001 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -71.92 -45.64 63.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' A' ' 10' ' ' GLU . 12.5 mt -57.71 -50.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.7 mp -48.53 -49.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.0 -61.72 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.54 -51.71 45.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.69 -37.78 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.87 -41.06 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mtm -62.81 -16.61 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.25 52.48 0.77 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -128.4 158.73 70.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.46 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 123.84 8.16 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -46.77 -61.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.26 -55.64 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 54' ' ' PHE . . . -59.06 -41.07 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' MET . 33.9 m -60.87 -41.56 96.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.7 mtp180 -71.34 -21.12 62.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 24.4 mtmt -73.37 -48.75 31.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 33' ' ' THR . . . -55.04 -67.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.427 HG12 ' CD1' ' A' ' 8' ' ' LEU . 84.7 t -43.79 -53.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -50.99 -71.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.679 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -44.54 -57.06 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.6 p -58.73 -25.71 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.29 46.04 9.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 47.52 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.764 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -143.79 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 166.7 31.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.89 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -45.9 -58.95 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -52.33 -62.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.576 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -46.01 -51.75 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -43.29 -53.43 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -41.56 -56.84 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.8 t90 -48.19 -44.7 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.703 HG13 ' CE1' ' A' ' 54' ' ' PHE . 48.4 t -66.4 -48.2 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -49.97 -25.47 3.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -92.31 -53.52 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -56.84 -47.48 80.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.502 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 3.8 ptt? -44.74 -25.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -88.85 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.95 152.59 11.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -12.56 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 m-20 -92.48 28.19 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.703 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.1 t80 -95.49 -42.21 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.91 19.2 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 42.6 p-10 -92.18 157.22 41.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.59 42.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tp -82.8 127.1 33.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mt 58.18 109.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.64 155.98 66.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.06 135.09 12.56 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.53 85.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -65.12 95.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.16 -145.66 5.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.4 18.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.03 143.93 45.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.3 p -156.84 -61.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.06 153.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.91 97.25 1.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.49 4.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.68 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t 62.15 88.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -80.5 -58.5 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -131.83 94.44 3.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.26 -60.06 0.26 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 m -115.21 124.81 52.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -100.64 88.17 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 176.63 25.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -101.21 162.73 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 1.1 m-20 -119.68 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.863 ' HA ' HD12 ' A' ' 13' ' ' ILE . 12.7 pt-20 -69.02 -43.13 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -42.93 -35.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.54 -53.41 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 10' ' ' GLU . 10.5 mt -50.69 -50.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -48.89 -53.21 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.61 -60.86 2.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.39 -50.15 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.13 -36.8 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -26.74 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.7 mtt -78.13 -13.16 59.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.46 49.66 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -125.5 157.77 66.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 131.25 14.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' ARG . 6.5 mtp -46.61 -63.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.4 m-20 -40.4 -64.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -47.96 -46.71 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' HG23 ' A' ' 13' ' ' ILE . 8.9 m -58.04 -41.81 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' MET . 10.1 mtp180 -66.86 -34.88 78.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HG2' HD13 ' A' ' 58' ' ' LEU . 1.4 mtmt -57.9 -50.9 71.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.16 -70.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG13 ' HA ' ' A' ' 35' ' ' ASN . 61.9 t -40.29 -55.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' HA ' HD11 ' A' ' 8' ' ' LEU . 26.9 t80 -48.95 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 23.0 m-85 -48.99 -37.58 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 29' ' ' ALA . 26.8 p -89.42 21.02 3.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.09 46.26 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.57 ' HA ' HG13 ' A' ' 30' ' ' VAL . 21.7 t-20 40.64 67.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.54 -40.11 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.17 156.39 9.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.66 -61.55 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.12 -57.76 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.8 -62.36 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -48.27 -51.35 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.4 ttp -37.94 -55.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.26 -52.1 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 40.2 t90 -52.8 -42.87 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.047 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.596 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 43.0 t -65.1 -48.77 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 mmt -59.07 -20.87 57.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.87 -24.99 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.785 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.7 m-70 -91.95 -62.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -41.39 -27.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -49.65 -23.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.32 157.87 48.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -4.67 15.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.22 28.0 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.688 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.1 t80 -97.67 -43.32 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.41 69.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -40.52 157.36 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 28' ' ' LYS . 11.5 tp -100.58 115.41 30.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mp -46.44 110.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.82 155.0 2.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.91 5.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.67 147.19 32.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -150.47 -61.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.63 103.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.49 -145.94 38.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.12 -157.98 9.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.7 p 60.13 162.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -153.95 150.51 28.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 168.71 97.25 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 61.31 5.65 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.73 140.88 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.26 -58.69 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -174.4 119.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m 71.3 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.56 -119.76 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -103.79 -62.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t 51.85 91.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.56 -72.39 1.08 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.565 ' HG ' HG12 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -81.95 170.76 15.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.1 127.48 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.894 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.3 pt-20 -80.59 -38.51 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.2 t -47.98 -37.17 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.6 -40.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.894 HD12 ' HA ' ' A' ' 10' ' ' GLU . 19.3 mt -63.8 -52.17 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -46.27 -52.27 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.92 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.434 HD21 ' HG3' ' A' ' 42' ' ' MET . 25.1 mt -48.26 -51.77 24.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' HE3' ' A' ' 23' ' ' MET . 72.6 t -56.83 -38.14 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.68 -37.57 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mtm -66.81 -19.02 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.76 55.08 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -130.94 158.37 75.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.04 134.11 17.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.496 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -48.32 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -39.8 -59.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -49.23 -45.25 44.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' MET . 68.8 m -62.38 -56.3 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -53.64 -34.49 58.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG2' HD11 ' A' ' 58' ' ' LEU . 27.3 mtmt -59.19 -57.01 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 33' ' ' THR . . . -49.55 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG12 ' HG ' ' A' ' 8' ' ' LEU . 47.9 t -43.01 -59.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.542 ' HA ' HD11 ' A' ' 8' ' ' LEU . 33.0 t80 -47.85 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.657 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 18.2 m-85 -48.29 -41.95 29.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 29' ' ' ALA . 23.5 p -89.46 20.22 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.39 46.36 1.43 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' HG13 ' A' ' 30' ' ' VAL . 30.6 t30 40.24 85.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -124.46 47.03 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.0 169.41 35.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.37 -54.34 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -59.43 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.25 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.64 -56.47 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -39.22 -57.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -41.33 -57.61 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 32.0 t90 -46.59 -44.87 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 108.015 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' A' ' 54' ' ' PHE . 59.8 t -67.54 -56.9 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -37.94 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.3 m -92.2 -58.12 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.6 m-70 -49.03 -39.35 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.495 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -57.9 -15.72 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.71 42.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.8 152.7 16.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.63 20.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 16.7 p-10 -92.61 28.22 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.8 t80 -85.57 -49.85 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.05 72.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m-20 -40.97 157.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.09 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.469 HD11 ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -81.09 155.52 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.34 115.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.39 160.38 0.31 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.73 38.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.34 -105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.99 118.73 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.0 t -159.76 160.49 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.56 98.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.51 17.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.97 90.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 130.62 44.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 m -131.48 104.24 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.38 78.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 87.51 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.791 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -55.27 105.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m 61.89 151.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -141.5 144.59 34.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 109.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.38 108.45 15.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.88 81.83 0.9 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -142.34 -58.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -60.92 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.36 -74.22 0.35 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 31' ' ' TYR . 1.2 mp -125.25 165.62 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.93 111.64 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.917 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.8 pt-20 -64.37 -38.04 89.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -46.58 -38.63 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.57 -45.98 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.5 mt -58.25 -49.67 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -49.58 -55.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -48.65 -57.38 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.99 -49.53 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 23' ' ' MET . 92.5 t -59.73 -32.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.7 mm-40 -63.5 -41.6 98.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -26.41 67.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.17 57.91 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.41 161.34 61.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.91 13.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.655 ' HG2' HG21 ' A' ' 17' ' ' VAL . 12.4 mtp -52.85 -55.67 21.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -55.71 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.76 -38.68 86.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.672 ' CB ' HG23 ' A' ' 13' ' ' ILE . 93.7 m -61.94 -38.21 87.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.8 -18.85 59.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.881 ' HG2' HD13 ' A' ' 58' ' ' LEU . 26.6 mtmt -77.22 -50.51 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.78 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -55.16 -65.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 35' ' ' ASN . 81.6 t -40.49 -55.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HA ' HD11 ' A' ' 8' ' ' LEU . 37.7 t80 -51.96 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.3 m-85 -50.85 -21.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 36.6 p -108.67 26.49 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.06 31.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' HG13 ' A' ' 30' ' ' VAL . 20.1 t30 50.61 66.56 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.59 -47.87 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.14 162.06 26.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.82 -58.32 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -60.45 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -50.88 -51.78 48.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.78 -55.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.12 -55.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.78 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 32.2 t90 -49.7 -44.63 48.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.519 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 48.1 t -65.43 -51.1 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 mmt -49.0 -26.14 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -88.79 -64.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.2 m-70 -47.44 -43.48 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.573 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -53.02 -19.17 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 47' ' ' SER . 22.4 t0 -60.48 -30.26 69.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 148.26 34.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.99 19.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.73 27.82 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.836 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 10.7 t80 -93.27 -27.87 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 6.31 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -78.55 171.55 12.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.96 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 ' HG2' ' A' ' 28' ' ' LYS . 11.5 tp -108.39 137.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.01 134.03 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.94 155.52 83.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.417 1.746 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.85 -153.33 17.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.85 89.43 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -145.2 97.26 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.67 157.51 1.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -57.2 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.3 -108.83 3.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t 64.91 134.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -158.9 97.11 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -111.42 97.29 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -58.92 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.9 m -84.63 159.48 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.2 p -56.0 103.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 54.78 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.25 -144.86 17.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.18 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.04 162.35 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.52 -88.48 0.85 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -118.63 166.28 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.763 . . . . 0.0 109.251 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -130.35 92.42 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.808 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.13 -47.58 34.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -39.88 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -71.83 -45.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 10' ' ' GLU . 14.9 mt -59.12 -51.08 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.6 mp -47.65 -48.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.08 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD21 ' CG ' ' A' ' 42' ' ' MET . 16.4 mt -48.34 -50.65 29.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.95 -34.89 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -62.01 -34.07 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.3 mtp -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.25 56.21 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.39 156.09 80.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 118.26 5.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -37.91 -62.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.3 m-20 -40.35 -59.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.595 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.69 -45.3 66.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB3' HG23 ' A' ' 13' ' ' ILE . 65.1 m -59.55 -39.1 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -74.36 -21.61 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.612 ' HG2' HD13 ' A' ' 58' ' ' LEU . 27.9 mtmt -72.77 -49.64 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.698 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -55.03 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 58.8 t -39.71 -54.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -51.36 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -57.4 -54.19 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.406 ' H ' ' HG1' ' A' ' 33' ' ' THR . 32.3 p -58.44 -24.95 61.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.39 46.77 8.66 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 40.7 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.44 37.77 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.5 172.11 30.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.25 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.77 -52.18 43.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -60.95 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.491 ' CG ' HD21 ' A' ' 16' ' ' LEU . 56.4 mtt -40.79 -54.65 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -41.07 -60.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.5 t90 -45.15 -42.68 9.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.766 HG13 ' CE1' ' A' ' 54' ' ' PHE . 9.8 t -67.26 -48.9 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -58.73 -20.02 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.3 -51.11 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.2 m-70 -59.89 -53.14 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.418 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 23.2 ptm -41.64 -27.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -49.73 -31.58 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 154.71 40.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -6.82 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.34 28.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CE1' HG13 ' A' ' 45' ' ' VAL . 6.6 t80 -94.68 -25.79 16.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 12.23 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.56 157.33 74.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.09 23.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.612 HD13 ' HG2' ' A' ' 28' ' ' LYS . 36.9 tp -90.87 146.83 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.05 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.27 161.24 0.24 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.44 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.99 112.64 0.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -59.77 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.9 t -80.5 107.91 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.58 -146.39 4.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.05 30.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.63 131.13 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.7 p -133.39 119.11 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -151.77 116.82 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.23 162.33 27.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 t -144.77 -58.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 t -61.07 -58.39 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.52 147.63 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -156.84 117.84 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.2 -169.21 15.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -170.07 146.6 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m 67.51 131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.83 -62.95 0.92 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -79.26 168.94 18.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.82 112.57 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.845 ' HA ' HD12 ' A' ' 13' ' ' ILE . 14.3 pt-20 -67.89 -38.57 83.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -47.45 -39.94 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -68.79 -45.29 81.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 10' ' ' GLU . 12.7 mt -58.23 -52.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -47.03 -54.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.41 -55.82 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.15 -49.19 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.2 t -58.25 -41.13 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.1 -37.14 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.9 mtt -66.44 -12.84 59.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.35 36.56 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -111.86 156.24 41.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.08 124.72 8.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -47.52 -60.62 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 2.1 m-20 -40.29 -55.78 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.869 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.52 -45.51 93.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HB3' HG23 ' A' ' 13' ' ' ILE . 27.5 m -56.61 -32.07 64.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.9 mtp180 -78.32 -21.23 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' HG2' HD13 ' A' ' 58' ' ' LEU . 1.3 mtmp? -74.47 -50.03 19.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.811 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.11 -68.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 35' ' ' ASN . 54.1 t -40.99 -57.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' HA ' HD11 ' A' ' 8' ' ' LEU . 39.1 t80 -47.82 -68.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 21.0 m-85 -48.48 -37.52 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 29' ' ' ALA . 27.2 p -90.38 24.08 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.81 33.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 18.2 t30 47.22 87.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.76 57.84 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.6 164.92 40.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.14 -54.93 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.24 -61.93 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.43 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -42.07 -54.71 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.1 ttm -38.29 -56.71 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -40.81 -54.5 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.811 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 40.1 t90 -50.47 -47.27 57.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.613 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 62.8 t -61.79 -40.61 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.97 -25.44 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -90.14 -21.16 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.775 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 m-70 -91.91 -56.66 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.4 ptm -41.59 -27.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' HIS . 1.4 t0 -53.43 -38.33 63.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.72 151.96 38.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.65 11.51 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 13.2 m-20 -93.68 25.58 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.869 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 7.8 t80 -96.61 -48.19 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.12 67.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 45.6 p-10 -44.68 157.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.7 6.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.505 HD13 ' HG2' ' A' ' 28' ' ' LYS . 22.9 tp -95.43 131.54 41.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mm -53.39 148.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.41 154.88 77.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.98 5.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.83 133.16 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.9 p -163.62 167.18 21.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.13 79.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.47 162.46 9.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.34 2.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.67 95.09 2.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 p -89.3 136.29 33.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.63 148.03 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.63 157.74 10.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -44.13 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.4 157.79 39.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 82.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 106.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.35 90.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.79 -104.69 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m 63.52 103.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 140.71 43.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.68 88.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER 56.07 166.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.95 104.73 10.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.2 pt-20 -72.25 -38.02 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -42.16 -38.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.87 -56.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 10' ' ' GLU . 6.6 mt -48.58 -46.47 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -53.12 -54.26 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.84 -60.75 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 12.5 mt -48.23 -47.71 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 t -62.2 -39.01 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.32 -32.98 74.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 87.5 mtp -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.62 61.17 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.38 161.99 47.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.517 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' CYS . 10.9 ttm -46.19 -63.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 85.6 m-20 -39.99 -55.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.627 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.41 -43.3 83.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' MET . 50.9 m -59.26 -41.41 88.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -31.25 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.694 ' HG2' HD13 ' A' ' 58' ' ' LEU . 27.5 mtmt -61.33 -51.92 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.54 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.635 HG21 HG13 ' A' ' 13' ' ' ILE . 98.2 t -39.97 -55.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.0 m-85 -51.18 -36.41 41.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.4 p -90.47 21.22 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 37.22 39.49 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 45.75 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -34.22 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.19 10.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.59 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.74 -59.08 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.04 -58.21 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -52.24 -55.26 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -37.94 -56.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -41.86 -60.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 57.1 t90 -46.06 -41.83 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.748 HG13 ' CE1' ' A' ' 54' ' ' PHE . 7.1 t -67.6 -49.67 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 mmt -56.63 -20.81 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.16 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -69.48 -51.81 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptm -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 49' ' ' MET . 23.8 t70 -51.78 -36.35 47.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 150.24 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.2 p30 -92.09 21.99 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CE1' HG13 ' A' ' 45' ' ' VAL . 8.1 t80 -89.06 -41.73 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.13 80.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 4.7 m-20 -41.09 157.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.92 9.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 28' ' ' LYS . 9.7 tp -90.02 115.94 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.15 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -80.78 147.19 61.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.557 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.03 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.14 -122.24 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.45 112.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.036 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.1 126.12 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.01 158.15 9.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.43 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.15 113.85 4.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -75.3 98.28 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.2 m -48.39 138.25 10.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.65 82.92 1.45 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 80.06 2.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.9 123.07 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.54 109.06 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.19 88.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -80.4 -58.66 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.37 -174.4 52.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -107.15 125.52 51.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -61.99 112.36 2.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.42 -120.87 2.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -125.45 163.21 23.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -135.07 104.15 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.2 mp0 -58.25 -44.98 88.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -40.97 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.19 -44.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 10' ' ' GLU . 8.1 mt -58.98 -51.36 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -47.81 -51.01 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -49.63 -59.84 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 ' HG2' ' A' ' 42' ' ' MET . 12.9 mt -49.03 -51.26 32.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 ' HE3' ' A' ' 23' ' ' MET . 53.2 t -58.64 -38.29 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -37.8 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.03 -15.98 63.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.88 56.18 0.63 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -134.35 158.54 74.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.554 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -50.66 -62.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 15.5 m-20 -40.04 -57.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -53.66 -44.54 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' CB ' HG23 ' A' ' 13' ' ' ILE . 61.6 m -60.01 -47.62 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -63.33 -31.38 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.6 mtmt -63.65 -50.39 69.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.754 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.93 -67.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 35' ' ' ASN . 75.3 t -41.24 -55.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -49.62 -66.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.1 m-85 -52.73 -30.36 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 29' ' ' ALA . 74.5 p -94.05 24.83 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.74 35.43 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' HA ' HG13 ' A' ' 30' ' ' VAL . 25.6 t30 43.47 60.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.73 57.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.86 160.82 36.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.7 -56.23 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.88 -55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -49.49 -51.85 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.571 ' HG2' HD21 ' A' ' 16' ' ' LEU . 1.3 mtm -47.79 -53.67 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.69 -49.42 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 34.2 t90 -55.58 -45.41 77.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.822 HG13 ' CE1' ' A' ' 54' ' ' PHE . 38.8 t -58.4 -72.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -43.28 -26.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -82.33 -60.31 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 1.4 m-70 -53.86 -44.48 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.477 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 2.4 ppp? -40.69 -27.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 48' ' ' HIS . 86.9 m-20 -45.56 -51.68 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 154.05 57.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.24 16.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.4 m-20 -92.3 25.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.822 ' CE1' HG13 ' A' ' 45' ' ' VAL . 10.7 t80 -86.8 -24.09 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.87 20.17 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 6.1 m-20 -90.5 157.44 44.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.88 17.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 tp -101.21 144.64 29.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -46.29 151.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.95 155.05 64.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.68 28.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.0 109.64 2.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -165.18 -50.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 109.988 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.53 114.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.26 157.65 13.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 66.89 5.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.65 163.64 12.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.87 156.84 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.04 -57.47 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.53 -168.71 41.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 168.44 24.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.2 m -127.22 124.18 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.3 136.64 52.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -49.52 -58.42 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m 61.86 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.91 -96.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t 59.01 94.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -48.87 145.49 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.7 -125.75 5.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -102.13 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.65 107.49 14.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.875 ' HA ' HD12 ' A' ' 13' ' ' ILE . 18.3 pt-20 -69.06 -41.26 77.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -37.93 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG13 ' HA ' ' A' ' 38' ' ' ALA . 23.9 t -70.34 -44.3 77.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.4 mt -60.92 -48.71 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.5 mp -50.76 -49.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -55.66 -55.38 32.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.51 -51.02 58.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' SD ' ' A' ' 23' ' ' MET . 61.8 t -62.83 -29.92 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.12 -31.24 71.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.2 mtm -75.03 -28.14 60.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.73 49.28 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.1 157.57 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.01 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -42.86 -61.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.21 -53.71 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 54' ' ' PHE . . . -59.54 -43.69 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' MET . 56.5 m -60.32 -36.38 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -73.5 -24.18 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 30.6 mtmt -70.12 -50.12 43.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.869 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -53.97 -71.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 99.4 t -40.24 -55.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' CE2' HD11 ' A' ' 58' ' ' LEU . 32.8 t80 -48.84 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -53.42 -54.82 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 20.7 p -58.13 -25.38 61.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 79.11 45.98 8.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 45.2 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.79 -36.63 3.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.59 150.86 5.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -41.73 -62.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.44 -61.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -50.05 -53.18 28.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -40.62 -55.06 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -39.81 -59.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.869 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 43.0 t90 -45.08 -47.7 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.744 HG13 ' CE1' ' A' ' 54' ' ' PHE . 60.8 t -64.09 -50.65 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.4 mmt -45.71 -27.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -62.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 18.3 m-70 -47.59 -36.97 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.48 -17.37 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.58 39.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.9 152.44 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 p-10 -92.59 28.21 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.744 ' CE1' HG13 ' A' ' 45' ' ' VAL . 41.2 t80 -94.05 -22.17 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.37 21.16 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 3.1 m-20 -90.91 157.43 43.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.96 36.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 31' ' ' TYR . 47.3 tp -86.38 134.43 33.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.73 121.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.74 154.77 83.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.08 17.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.13 124.26 31.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.2 p -174.12 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 t 65.51 168.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.04 81.33 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.07 2.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.61 126.14 8.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.86 163.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -106.01 125.58 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.68 97.26 1.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 125.98 9.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 168.63 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 95.1 p -142.5 147.32 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m -40.53 -58.35 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -48.35 143.6 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.72 -130.52 1.74 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -82.21 99.85 9.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.82 96.86 10.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.43 -139.83 7.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -106.91 144.11 34.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 112.04 24.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.83 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.5 pt-20 -74.13 -38.84 63.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 6.1 m -46.88 -37.62 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 38' ' ' ALA . 25.6 t -71.71 -47.34 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 10' ' ' GLU . 19.9 mt -56.06 -52.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.44 -55.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.2 -61.1 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -47.67 -50.95 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.12 -33.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -61.69 -37.36 83.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -22.81 66.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 47.55 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.07 155.04 71.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -44.01 -62.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -56.25 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.694 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -59.3 -41.71 89.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.565 ' HB3' HG23 ' A' ' 13' ' ' ILE . 21.2 m -59.19 -41.43 88.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -65.97 -35.51 80.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -56.96 -50.93 71.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 33' ' ' THR . . . -52.38 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 86.7 t -41.91 -57.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -47.03 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.736 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -45.86 -56.41 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.855 HG21 ' HA ' ' A' ' 41' ' ' ALA . 51.2 p -58.09 -22.46 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.44 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 75.72 39.45 34.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 49.02 89.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -117.87 -37.74 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.63 156.59 8.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -47.75 -59.94 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.97 -58.22 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.81 -62.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.855 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -54.83 -51.79 64.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.95 -55.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.44 -57.52 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.789 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 80.4 t90 -47.29 -44.63 23.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 48.3 t -67.02 -57.63 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.6 mmt -41.44 -30.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 4.3 m -91.37 -54.19 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.4 m-70 -52.26 -44.36 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -17.93 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 47' ' ' SER . 7.6 t0 -52.82 -50.22 64.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 152.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 t0 -92.49 28.11 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.694 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.7 t80 -93.4 -43.13 8.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 51.6 p-10 -41.33 156.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -177.61 3.6 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ILE . 13.3 tp -87.1 118.39 26.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' LEU . 3.4 mt 39.21 89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -41.31 160.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.88 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.19 -55.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.8 p -140.18 93.83 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 82.1 p -84.07 168.11 16.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.33 97.2 0.08 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.76 117.44 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.0 t -165.21 143.74 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.69 129.13 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.77 95.08 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 116.1 4.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 150.8 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 t 74.24 -70.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -140.83 158.57 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -102.91 155.01 18.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.71 150.7 5.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -159.81 165.61 32.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 0.745 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.5 90.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.37 146.47 4.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 31' ' ' TYR . 2.5 mp -74.95 164.19 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 95.09 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.795 ' HA ' HD12 ' A' ' 13' ' ' ILE . 4.3 mp0 -55.63 -51.77 66.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.01 -41.17 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.68 -47.62 69.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.3 mt -56.05 -49.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.5 mp -50.22 -50.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -51.98 -54.46 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.2 -48.08 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 46.4 t -62.25 -28.99 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.7 mm-40 -66.49 -33.99 76.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -19.24 64.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.41 49.79 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -128.99 156.12 78.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.03 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -44.59 -62.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.19 -45.0 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.549 ' CB ' HG23 ' A' ' 13' ' ' ILE . 64.2 m -60.34 -46.41 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.16 -31.1 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -62.66 -53.32 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.774 ' O ' HG23 ' A' ' 33' ' ' THR . . . -53.66 -67.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 35' ' ' ASN . 68.1 t -40.55 -57.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.439 ' HA ' HD11 ' A' ' 8' ' ' LEU . 43.2 t80 -49.68 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 20.3 m-85 -49.55 -34.65 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.9 p -94.55 22.24 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.25 40.48 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' HA ' HG13 ' A' ' 30' ' ' VAL . 43.6 t-20 45.05 84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.5 m -124.28 57.31 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.06 168.69 45.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.01 -53.89 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.83 -59.21 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -47.82 -65.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -54.56 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.38 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.85 -56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.01 -56.35 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 34.1 t90 -48.44 -46.4 37.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 ' CE1' ' A' ' 54' ' ' PHE . 59.2 t -64.4 -53.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.3 mmt -43.4 -27.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 -63.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.754 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 7.9 m-70 -47.76 -36.79 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.488 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.54 -17.56 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -94.99 40.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.87 153.55 26.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.87 28.01 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE1' HG13 ' A' ' 45' ' ' VAL . 35.9 t80 -88.09 -57.97 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.75 88.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.45 157.28 0.17 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.22 142.98 30.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.656 ' H ' HD12 ' A' ' 59' ' ' ILE . 5.0 mp -53.4 133.25 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mt -118.53 155.01 52.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 91.79 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.74 107.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.39 132.03 52.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -106.88 82.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.53 -166.08 23.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.73 9.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.55 138.08 2.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.6 p -117.41 155.09 30.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -152.46 143.24 22.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.02 119.63 0.49 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.53 27.93 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.7 94.76 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.2 161.8 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 143.89 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -138.71 84.45 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.53 -167.25 38.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -178.93 117.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 109.993 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.31 97.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.07 -122.04 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.579 1.174 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 8' ' ' LEU . 9.8 tp -109.15 148.04 31.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -73.93 93.92 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.69 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -62.9 -47.66 82.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -40.13 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.59 -52.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 10' ' ' GLU . 11.8 mt -52.52 -49.91 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -48.35 -54.97 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -45.29 -66.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.8 mt -45.0 -51.47 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.65 -41.1 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -38.44 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -62.99 -23.23 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 58.8 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -137.01 162.1 57.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 129.63 12.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -50.64 -62.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.1 m-20 -40.18 -55.94 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.753 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -59.61 -41.73 91.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' MET . 19.1 m -58.95 -43.9 91.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -63.45 -35.82 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 35.9 mtmt -58.08 -60.13 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' THR . . . -48.89 -62.23 1.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 HG13 ' A' ' 13' ' ' ILE . 55.3 t -49.04 -55.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -50.58 -66.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.699 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.6 m-85 -47.6 -46.42 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' ALA . 24.3 p -87.14 14.65 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 37.39 53.6 1.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 18.1 p30 39.4 53.93 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.4 m -88.76 41.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 135.48 7.47 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.74 -58.57 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 -57.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.66 -65.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -40.6 -51.6 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 ttp -47.45 -54.74 10.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -44.31 -51.21 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 47.2 t90 -53.05 -45.43 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 29' ' ' ALA . 72.5 t -62.15 -57.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -47.76 -23.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -29.8 16.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.7 m-70 -84.85 -60.08 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.48 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -44.89 -25.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -50.72 -22.79 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.54 155.72 45.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.74 20.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -92.57 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.753 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 9.0 t80 -91.88 -47.27 7.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.23 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -45.99 155.53 0.51 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -77.31 156.93 31.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.45 128.3 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.6 155.53 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 62.84 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.9 -177.94 49.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.3 t -65.99 81.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.51 143.33 26.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.59 -150.18 20.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 62.01 5.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.86 -98.52 0.1 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -55.69 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t 62.67 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.79 -146.83 18.46 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.83 34.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.1 p -158.37 105.9 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.37 153.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -164.37 131.64 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 0.731 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 65.22 100.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.59 143.61 10.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -138.81 119.26 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -99.58 -57.26 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.46 -140.23 3.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -91.16 170.57 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -136.45 113.15 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.993 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.1 pt-20 -72.11 -38.42 69.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.5 m -48.71 -34.42 11.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -73.72 -40.24 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.993 HD12 ' HA ' ' A' ' 10' ' ' GLU . 15.8 mt -63.41 -51.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -46.44 -54.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.84 -61.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 17.7 mt -46.77 -50.01 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.18 -40.24 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -39.57 73.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -22.28 66.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.01 45.11 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.44 154.43 66.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 120.6 6.14 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -41.25 -62.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -40.34 -55.09 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.713 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.8 -40.35 92.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.567 ' CB ' HG23 ' A' ' 13' ' ' ILE . 52.8 m -60.35 -41.26 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 8.3 mtp180 -66.9 -32.78 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.631 ' HG2' HD13 ' A' ' 58' ' ' LEU . 29.3 mtmt -60.17 -50.64 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.754 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.26 -68.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG12 ' HG ' ' A' ' 8' ' ' LEU . 62.9 t -40.69 -56.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.636 ' HA ' HD11 ' A' ' 8' ' ' LEU . 40.6 t80 -48.1 -67.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -48.81 -38.63 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' ALA . 22.9 p -89.89 21.5 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.29 38.2 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' HG13 ' A' ' 30' ' ' VAL . 14.8 t30 46.76 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 12.8 m -129.41 55.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.39 167.16 43.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.64 -57.29 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -43.25 -57.95 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -51.5 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -56.12 4.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.2 mtm -38.7 -55.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.25 -53.88 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 26.7 t90 -51.23 -44.19 61.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 108.018 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 42.1 t -64.24 -48.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -58.33 -23.57 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -22.37 20.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.4 m-70 -92.11 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -39.4 -28.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -44.81 -35.91 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.76 152.65 38.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.32 28.09 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.8 t80 -92.88 -37.96 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.19 -16.45 63.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.2 157.38 2.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.14 16.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.631 HD13 ' HG2' ' A' ' 28' ' ' LYS . 14.5 tp -87.35 120.06 28.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mp -41.78 107.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.88 157.5 15.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.81 38.71 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.05 80.0 1.3 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 t 61.08 155.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.3 p -62.95 110.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.22 4.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.02 29.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.15 80.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 t -109.06 -58.62 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.02 -58.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.87 -158.74 27.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.47 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.439 1.757 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.01 -58.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -126.7 147.24 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -114.57 86.5 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.43 -69.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -178.1 -174.07 44.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -173.75 145.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t 48.52 94.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.06 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 13' ' ' ILE . 2.7 tp 53.69 173.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -120.42 99.18 6.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HA ' HD12 ' A' ' 13' ' ' ILE . 13.2 mp0 -59.37 -51.42 70.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -39.36 -40.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.63 -50.62 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 10' ' ' GLU . 6.2 mt -53.62 -49.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.9 mp -51.84 -48.59 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.0 -53.89 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 42' ' ' MET . 18.6 mt -58.17 -50.04 74.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.07 -35.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.96 -38.61 67.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.9 mtm -68.15 -9.71 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.59 51.77 1.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -127.51 159.33 66.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.522 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.05 141.94 27.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.2 mtp -59.71 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' MET . 16.6 m-20 -39.72 -61.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.737 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -48.8 -46.29 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 m -59.96 -50.83 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -58.31 -39.05 78.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.4 mtmt -52.94 -52.55 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.674 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -52.0 -71.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 39.6 t -42.83 -57.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -44.14 -64.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -53.01 -55.78 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 14.6 p -58.23 -19.82 36.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 70.51 53.94 11.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 44.08 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.721 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 11.8 m -138.03 44.33 2.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.46 166.72 37.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.91 -53.75 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.75 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.492 ' HG3' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -40.96 -56.01 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 t-20 -40.13 -58.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.8 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 55.8 t90 -46.88 -46.6 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.706 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 49.6 t -64.2 -48.34 86.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.1 mmt -53.13 -23.67 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -47.68 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.7 m-70 -63.78 -52.43 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -47.2 -23.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.79 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -94.23 28.06 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.737 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 4.6 t80 -95.57 -51.53 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . . . -59.5 -28.41 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' ALA . 30.0 p-10 -40.46 157.31 0.17 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.8 141.65 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.95 141.81 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.5 156.3 53.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.43 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -110.52 69.1 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 p -176.22 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.5 133.62 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -154.38 7.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 74.96 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.59 -154.83 1.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -152.08 168.49 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.79 . . . . 0.0 110.048 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -89.83 142.85 27.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.58 84.72 0.19 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.76 133.29 41.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -97.63 152.35 19.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.33 130.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.063 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.51 128.56 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.54 73.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.67 155.54 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -124.8 146.18 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.79 -114.35 4.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -126.97 145.85 50.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.89 107.31 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.818 ' HA ' HD12 ' A' ' 13' ' ' ILE . 20.5 pt-20 -69.24 -38.02 78.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -42.64 -43.26 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 38' ' ' ALA . 25.3 t -68.15 -48.12 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.966 HG23 ' CB ' ' A' ' 26' ' ' CYS . 8.0 mt -56.17 -50.91 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -48.68 -54.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.43 -50.8 51.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.48 -50.43 73.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.18 -31.29 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -41.52 98.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.6 mtm -59.32 -29.47 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.15 52.9 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -130.21 157.77 76.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.78 6.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.97 -57.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.17 -53.72 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.814 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.26 -43.86 83.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.966 ' CB ' HG23 ' A' ' 13' ' ' ILE . 88.6 m -61.65 -42.62 99.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -71.64 -17.48 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 21.8 mtmt -78.3 -57.14 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -47.25 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.7 t -44.95 -61.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.13 -59.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 29.6 m-85 -57.18 -55.6 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 31.7 p -59.89 -14.74 16.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 68.28 38.58 87.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 56.18 103.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 m -129.62 -45.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.04 159.1 11.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -51.13 -58.77 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -58.63 7.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -53.4 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.51 -53.18 60.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.68 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.29 -57.82 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.8 t90 -47.43 -43.82 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 54' ' ' PHE . 35.2 t -66.78 -46.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 mmt -58.86 -23.49 60.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -90.04 -47.31 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -62.76 -53.11 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.4 ptm -40.96 -27.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' HIS . 51.0 t0 -47.82 -31.81 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -101.63 149.22 36.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.53 21.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.456 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 1.3 m-20 -92.48 25.37 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.814 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 7.6 t80 -83.53 -46.38 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.93 84.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.8 m-20 -40.98 155.64 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.42 6.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 150.83 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 59' ' ' ILE . 4.6 mp -68.64 121.89 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -52.81 148.05 14.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.97 83.64 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' SER . . . -82.92 -138.36 3.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 m 67.71 -70.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -54.77 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.4 -145.55 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.45 33.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.86 -149.89 14.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.589 1.181 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.3 t 64.2 126.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.9 144.6 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.6 158.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.7 4.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.51 165.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.72 109.42 14.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 137.18 46.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -57.5 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.73 -129.3 7.43 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.71 150.55 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 0.725 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m 55.73 98.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.47 88.89 0.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 30' ' ' VAL . 1.2 tp -106.03 168.98 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.64 111.37 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.796 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.3 pt-20 -60.2 -39.85 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 m -45.46 -41.99 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.74 -53.88 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 10' ' ' GLU . 10.0 mt -47.49 -52.94 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.85 -54.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -62.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 21.4 mt -51.69 -50.66 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.72 -43.82 56.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -45.17 51.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -54.66 -18.24 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.19 13.2 13.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.64 153.52 55.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.96 128.92 11.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.9 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -40.06 -57.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.6 -43.49 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' MET . 93.6 m -62.49 -49.89 73.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' HG2' HD13 ' A' ' 58' ' ' LEU . 28.1 mtmt -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.521 ' HB2' HG22 ' A' ' 45' ' ' VAL . . . -55.99 -70.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 8' ' ' LEU . 94.0 t -38.79 -53.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -53.78 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.4 m-85 -42.07 -62.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 p -57.13 -26.71 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.21 39.74 12.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 53.51 101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.4 m -146.69 45.27 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.49 168.05 42.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -50.48 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -43.93 -57.53 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.464 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 2.0 ttp -37.87 -57.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.15 -59.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 25.8 t90 -46.85 -43.93 19.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.806 HG13 ' CE1' ' A' ' 54' ' ' PHE . 14.0 t -65.27 -50.72 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE2' ' HG2' ' A' ' 42' ' ' MET . 27.9 mmt -52.84 -22.99 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 -62.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 5.4 m-70 -51.34 -41.16 60.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.482 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.72 -28.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' HIS . 38.7 t70 -52.81 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.72 146.05 37.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -12.77 21.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.52 28.02 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.806 ' CE1' HG13 ' A' ' 45' ' ' VAL . 9.6 t80 -79.42 -44.2 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.82 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.32 170.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 28' ' ' LYS . 16.1 tp -97.39 141.34 30.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.9 mt 56.99 107.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.567 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -41.5 147.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.551 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.02 -132.32 1.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t -122.18 76.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -95.4 129.01 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.17 100.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.01 39.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.4 119.71 3.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.9 p -75.66 135.07 40.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.42 112.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.43 157.46 19.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 76.76 3.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.27 84.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.7 t -107.76 -59.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.049 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -177.76 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.92 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.84 -163.55 9.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -80.74 120.18 24.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.98 -59.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.946 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.1 -123.78 5.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -133.25 165.15 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.65 103.87 8.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.87 ' HA ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -64.41 -49.14 72.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -36.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.47 -51.86 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 10' ' ' GLU . 9.0 mt -52.09 -48.61 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.6 mp -50.96 -48.76 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.29 -58.74 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 21.8 mt -50.75 -51.98 45.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.69 -39.67 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.87 -43.58 73.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.1 mtm -62.22 -20.11 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 57.42 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.38 157.59 77.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 116.93 4.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -40.6 -61.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 1.3 m-20 -40.32 -50.27 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -64.43 -43.88 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' HG23 ' A' ' 13' ' ' ILE . 53.9 m -59.3 -30.68 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -34.37 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mtmm -59.97 -48.92 79.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 33' ' ' THR . . . -51.86 -69.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 48.9 t -43.11 -58.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -44.32 -71.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.8 m-85 -47.23 -57.03 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 29' ' ' ALA . 47.2 p -58.93 -15.79 14.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 66.42 42.0 94.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 52.02 99.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -147.03 41.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.38 168.32 41.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.68 -48.68 14.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -61.6 1.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.36 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -42.58 -52.96 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -45.62 -52.94 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.47 -49.32 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.769 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 54.1 t90 -55.19 -44.44 75.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.526 HG22 ' HB2' ' A' ' 29' ' ' ALA . 39.7 t -59.89 -71.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.402 ' CE ' ' HB ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.35 -24.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 m -85.74 -36.24 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.769 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -76.55 -53.77 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.442 ' HA ' ' CB ' ' A' ' 54' ' ' PHE . 21.2 ptm -39.21 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' HIS . 27.6 t70 -41.82 -38.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.08 154.74 37.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.56 18.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.93 28.12 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.641 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 11.1 t80 -89.86 -42.96 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.13 72.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 51.2 p-10 -40.64 156.74 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.38 14.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -96.8 130.95 43.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.49 131.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.53 154.87 52.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.66 -68.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -98.39 103.69 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 p -62.26 157.73 18.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.2 -166.47 31.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 41.17 61.64 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -154.76 96.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.99 168.97 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.75 117.36 11.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.67 4.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.2 m -88.94 84.85 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p -163.19 146.19 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m 64.01 131.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.26 -58.36 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.46 -74.45 0.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -127.75 145.23 50.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -55.67 171.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.93 -158.78 26.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.16 166.99 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 115.47 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 14' ' ' ILE . 12.0 pt-20 -69.88 -39.66 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.7 m -46.62 -35.58 6.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 38' ' ' ALA . 24.3 t -75.02 -45.9 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.614 HG23 ' HB3' ' A' ' 26' ' ' CYS . 43.2 mt -62.24 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -39.49 -56.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -48.67 -63.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.67 -49.21 14.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG11 ' HE3' ' A' ' 23' ' ' MET . 10.9 t -59.3 -43.24 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.63 -39.11 73.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.5 mtm -63.38 -18.42 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.46 56.79 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.29 159.29 72.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 137.42 21.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.419 1.747 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.511 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -52.49 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 41.0 m-20 -40.24 -65.9 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -45.79 -48.07 15.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.614 ' HB3' HG23 ' A' ' 13' ' ' ILE . 17.1 m -58.04 -42.62 85.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -65.49 -35.1 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' HG2' HD13 ' A' ' 58' ' ' LEU . 30.6 mtmt -60.02 -54.5 45.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 33' ' ' THR . . . -51.88 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 35' ' ' ASN . 79.3 t -40.19 -56.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -51.85 -65.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 13.2 m-85 -49.9 -34.12 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 29' ' ' ALA . 30.0 p -92.15 24.28 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.37 40.03 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.41 ' HA ' HG13 ' A' ' 30' ' ' VAL . 29.5 t30 44.06 56.67 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -47.58 48.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.68 160.65 23.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.627 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -55.36 -54.15 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -58.59 7.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.83 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -45.16 -52.81 8.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -39.47 -55.03 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.59 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.804 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 29.9 t90 -49.78 -44.29 48.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 42.0 t -65.18 -47.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.7 mmt -56.17 -23.69 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -37.59 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.7 m-70 -75.43 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.7 ptm -40.81 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 42.3 t0 -51.84 -36.74 49.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.79 153.5 37.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.93 28.1 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.71 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.4 t80 -96.79 -24.85 15.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.0 14.16 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.05 157.38 71.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.39 27.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 28' ' ' LYS . 9.5 tp -92.17 129.15 38.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER 71.13 137.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -47.67 154.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.26 -61.19 6.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.6 p 53.37 172.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.3 m 58.47 96.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -120.33 96.62 0.62 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 75.41 3.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.423 1.749 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.54 127.1 3.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.6 p -135.56 151.19 50.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.7 p 56.78 170.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.55 81.54 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.4 26.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.1 145.31 30.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -133.91 -59.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 p -51.85 152.73 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.59 -59.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.75 -61.5 0.48 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.57 79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 101.88 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.95 -150.17 9.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.09 173.51 11.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.81 114.23 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.967 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.5 pt-20 -69.55 -44.06 71.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -43.15 -36.9 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.03 -51.57 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.967 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.8 mt -51.79 -47.11 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.78 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.7 mp -53.24 -50.17 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.47 -52.42 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 45' ' ' VAL . 9.5 mt -59.58 -47.46 85.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 42.5 t -60.27 -29.75 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -18.06 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.11 44.01 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.5 154.55 59.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.02 122.71 7.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.404 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -37.71 -63.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.4 m-20 -40.21 -57.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.17 -43.33 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.613 ' HB3' HG23 ' A' ' 13' ' ' ILE . 23.2 m -58.37 -45.0 89.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -63.69 -37.19 86.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 33.2 mtmt -55.34 -50.99 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.91 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 35' ' ' ASN . 87.1 t -40.34 -55.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -50.44 -67.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.64 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.3 m-85 -48.81 -37.1 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.6 p -90.04 22.61 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.88 41.37 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HA ' HG13 ' A' ' 30' ' ' VAL . 18.1 t30 40.52 70.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -112.08 52.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.97 164.69 40.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.16 -58.81 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.18 -54.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -48.59 -55.81 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.96 -57.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -40.06 -56.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.773 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.6 t90 -48.6 -47.5 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 16' ' ' LEU . 12.7 t -56.05 -68.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -48.12 -22.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.43 -31.33 18.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.773 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.3 m-70 -88.36 -61.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.89 -28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -49.32 -29.68 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.03 161.44 30.99 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.88 28.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.617 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 14.6 t80 -106.15 -42.83 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.08 -33.96 74.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.6 157.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.29 18.62 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HG ' HD12 ' A' ' 59' ' ' ILE . 24.1 tp -82.91 132.45 35.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.712 HD12 ' HG ' ' A' ' 58' ' ' LEU . 1.2 mt 59.88 154.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.583 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -116.49 147.31 39.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.568 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 88.64 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.39 -67.54 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 p 60.99 107.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.963 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.17 101.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.7 -73.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.25 105.77 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -177.98 137.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.9 -59.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.94 -145.51 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.53 12.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -60.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.09 109.6 14.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.63 110.87 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.81 ' HA ' HD12 ' A' ' 13' ' ' ILE . 17.4 pt-20 -73.96 -37.81 64.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -44.23 -41.6 5.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.64 -48.74 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 10' ' ' GLU . 13.3 mt -54.69 -53.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -44.44 -58.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.4 mt-30 -45.27 -65.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.595 HD21 ' HG3' ' A' ' 42' ' ' MET . 19.4 mt -46.12 -50.02 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.82 -33.31 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.6 mt-10 -72.87 -29.03 62.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.5 mtm -71.43 -18.64 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.55 52.72 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -133.19 157.99 76.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.0 124.76 8.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -42.34 -62.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' MET . 79.6 m-20 -40.2 -59.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.582 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.22 -44.62 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' HG23 ' A' ' 13' ' ' ILE . 99.3 m -60.6 -38.75 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.25 -18.9 60.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 25.1 mtmt -75.66 -49.8 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.735 ' O ' HG23 ' A' ' 33' ' ' THR . . . -52.86 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.9 t -42.82 -56.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -48.33 -70.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.3 m-85 -45.01 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.8 p -58.25 -23.44 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 76.42 39.26 31.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' GLY . 29.7 t-20 50.86 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -148.39 46.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.03 166.63 40.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.19 -52.23 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.91 -54.37 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.85 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -50.73 -55.56 16.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.595 ' HG3' HD21 ' A' ' 16' ' ' LEU . 3.5 mtt -46.55 -54.97 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -42.28 -58.6 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 32' ' ' TYR . 71.8 t90 -47.22 -41.58 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 108.034 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.706 HG13 ' CE1' ' A' ' 54' ' ' PHE . 12.0 t -68.16 -49.57 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -56.07 -25.07 43.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -47.33 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -63.57 -55.13 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.4 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 24.3 ptm -40.37 -28.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 19.0 t0 -50.39 -32.64 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.4 153.27 38.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -9.4 20.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.9 27.38 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CE1' HG13 ' A' ' 45' ' ' VAL . 3.7 t80 -89.03 -50.51 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -40.55 155.96 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' CD1' HG12 ' A' ' 30' ' ' VAL . 3.0 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 112.48 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.923 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.0 pt-20 -70.89 -46.86 61.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -42.16 -38.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.001 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -71.92 -45.64 63.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' A' ' 10' ' ' GLU . 12.5 mt -57.71 -50.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.7 mp -48.53 -49.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.0 -61.72 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.54 -51.71 45.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.69 -37.78 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.87 -41.06 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mtm -62.81 -16.61 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.25 52.48 0.77 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -128.4 158.73 70.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.46 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 123.84 8.16 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -46.77 -61.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.26 -55.64 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 54' ' ' PHE . . . -59.06 -41.07 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' MET . 33.9 m -60.87 -41.56 96.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.7 mtp180 -71.34 -21.12 62.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 24.4 mtmt -73.37 -48.75 31.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 33' ' ' THR . . . -55.04 -67.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.427 HG12 ' CD1' ' A' ' 8' ' ' LEU . 84.7 t -43.79 -53.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -50.99 -71.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.679 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -44.54 -57.06 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.6 p -58.73 -25.71 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.29 46.04 9.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 47.52 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.764 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -143.79 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 166.7 31.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.89 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -45.9 -58.95 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -52.33 -62.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.576 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -46.01 -51.75 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -43.29 -53.43 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -41.56 -56.84 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.8 t90 -48.19 -44.7 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.703 HG13 ' CE1' ' A' ' 54' ' ' PHE . 48.4 t -66.4 -48.2 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -49.97 -25.47 3.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -92.31 -53.52 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -56.84 -47.48 80.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.502 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 3.8 ptt? -44.74 -25.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -88.85 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.95 152.59 11.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -12.56 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 m-20 -92.48 28.19 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.703 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.1 t80 -95.49 -42.21 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.91 19.2 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 42.6 p-10 -92.18 157.22 41.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 1.1 m-20 -119.68 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.863 ' HA ' HD12 ' A' ' 13' ' ' ILE . 12.7 pt-20 -69.02 -43.13 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -42.93 -35.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.54 -53.41 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 10' ' ' GLU . 10.5 mt -50.69 -50.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -48.89 -53.21 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.61 -60.86 2.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.39 -50.15 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.13 -36.8 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -26.74 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.7 mtt -78.13 -13.16 59.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.46 49.66 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -125.5 157.77 66.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 131.25 14.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' ARG . 6.5 mtp -46.61 -63.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.4 m-20 -40.4 -64.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -47.96 -46.71 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' HG23 ' A' ' 13' ' ' ILE . 8.9 m -58.04 -41.81 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' MET . 10.1 mtp180 -66.86 -34.88 78.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.4 mtmt -57.9 -50.9 71.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.16 -70.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG13 ' HA ' ' A' ' 35' ' ' ASN . 61.9 t -40.29 -55.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' HA ' HD11 ' A' ' 8' ' ' LEU . 26.9 t80 -48.95 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 23.0 m-85 -48.99 -37.58 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 29' ' ' ALA . 26.8 p -89.42 21.02 3.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.09 46.26 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.57 ' HA ' HG13 ' A' ' 30' ' ' VAL . 21.7 t-20 40.64 67.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.54 -40.11 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.17 156.39 9.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.66 -61.55 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.12 -57.76 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.8 -62.36 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -48.27 -51.35 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.4 ttp -37.94 -55.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.26 -52.1 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 40.2 t90 -52.8 -42.87 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.047 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.596 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 43.0 t -65.1 -48.77 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 mmt -59.07 -20.87 57.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.87 -24.99 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.785 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.7 m-70 -91.95 -62.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -41.39 -27.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -49.65 -23.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.32 157.87 48.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -4.67 15.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.22 28.0 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.688 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.1 t80 -97.67 -43.32 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.41 69.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -40.52 157.36 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.565 ' HG ' HG12 ' A' ' 30' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.1 127.48 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.894 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.3 pt-20 -80.59 -38.51 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.2 t -47.98 -37.17 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.6 -40.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.894 HD12 ' HA ' ' A' ' 10' ' ' GLU . 19.3 mt -63.8 -52.17 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -46.27 -52.27 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.92 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.434 HD21 ' HG3' ' A' ' 42' ' ' MET . 25.1 mt -48.26 -51.77 24.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' HE3' ' A' ' 23' ' ' MET . 72.6 t -56.83 -38.14 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.68 -37.57 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mtm -66.81 -19.02 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.76 55.08 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -130.94 158.37 75.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.04 134.11 17.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.496 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -48.32 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -39.8 -59.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -49.23 -45.25 44.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' MET . 68.8 m -62.38 -56.3 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -53.64 -34.49 58.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -59.19 -57.01 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 33' ' ' THR . . . -49.55 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG12 ' HG ' ' A' ' 8' ' ' LEU . 47.9 t -43.01 -59.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.542 ' HA ' HD11 ' A' ' 8' ' ' LEU . 33.0 t80 -47.85 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.657 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 18.2 m-85 -48.29 -41.95 29.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 29' ' ' ALA . 23.5 p -89.46 20.22 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.39 46.36 1.43 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' HG13 ' A' ' 30' ' ' VAL . 30.6 t30 40.24 85.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -124.46 47.03 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.0 169.41 35.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.37 -54.34 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -59.43 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.25 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.64 -56.47 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -39.22 -57.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -41.33 -57.61 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 32.0 t90 -46.59 -44.87 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 108.015 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' A' ' 54' ' ' PHE . 59.8 t -67.54 -56.9 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -37.94 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.3 m -92.2 -58.12 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.6 m-70 -49.03 -39.35 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.495 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -57.9 -15.72 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.71 42.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.8 152.7 16.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.63 20.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 16.7 p-10 -92.61 28.22 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.8 t80 -85.57 -49.85 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.05 72.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m-20 -40.97 157.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 31' ' ' TYR . 1.2 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.93 111.64 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.917 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.8 pt-20 -64.37 -38.04 89.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -46.58 -38.63 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.57 -45.98 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.5 mt -58.25 -49.67 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -49.58 -55.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -48.65 -57.38 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.99 -49.53 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 23' ' ' MET . 92.5 t -59.73 -32.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.7 mm-40 -63.5 -41.6 98.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -26.41 67.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.17 57.91 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.41 161.34 61.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.91 13.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.655 ' HG2' HG21 ' A' ' 17' ' ' VAL . 12.4 mtp -52.85 -55.67 21.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -55.71 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.76 -38.68 86.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.672 ' CB ' HG23 ' A' ' 13' ' ' ILE . 93.7 m -61.94 -38.21 87.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.8 -18.85 59.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 26.6 mtmt -77.22 -50.51 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.78 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -55.16 -65.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 35' ' ' ASN . 81.6 t -40.49 -55.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HA ' HD11 ' A' ' 8' ' ' LEU . 37.7 t80 -51.96 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.3 m-85 -50.85 -21.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 36.6 p -108.67 26.49 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.06 31.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' HG13 ' A' ' 30' ' ' VAL . 20.1 t30 50.61 66.56 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.59 -47.87 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.14 162.06 26.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.82 -58.32 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -60.45 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -50.88 -51.78 48.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.78 -55.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.12 -55.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.78 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 32.2 t90 -49.7 -44.63 48.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.519 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 48.1 t -65.43 -51.1 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 mmt -49.0 -26.14 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -88.79 -64.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.2 m-70 -47.44 -43.48 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.573 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -53.02 -19.17 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 47' ' ' SER . 22.4 t0 -60.48 -30.26 69.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 148.26 34.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.99 19.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.73 27.82 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.836 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 10.7 t80 -93.27 -27.87 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 6.31 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -78.55 171.55 12.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -130.35 92.42 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.808 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.13 -47.58 34.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -39.88 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -71.83 -45.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 10' ' ' GLU . 14.9 mt -59.12 -51.08 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.6 mp -47.65 -48.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.08 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD21 ' CG ' ' A' ' 42' ' ' MET . 16.4 mt -48.34 -50.65 29.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.95 -34.89 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -62.01 -34.07 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.3 mtp -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.25 56.21 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.39 156.09 80.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 118.26 5.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -37.91 -62.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.3 m-20 -40.35 -59.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.595 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.69 -45.3 66.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB3' HG23 ' A' ' 13' ' ' ILE . 65.1 m -59.55 -39.1 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -74.36 -21.61 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.511 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.9 mtmt -72.77 -49.64 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.698 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -55.03 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 58.8 t -39.71 -54.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -51.36 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -57.4 -54.19 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.406 ' H ' ' HG1' ' A' ' 33' ' ' THR . 32.3 p -58.44 -24.95 61.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.39 46.77 8.66 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 40.7 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.44 37.77 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.5 172.11 30.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.25 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.77 -52.18 43.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -60.95 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.491 ' CG ' HD21 ' A' ' 16' ' ' LEU . 56.4 mtt -40.79 -54.65 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -41.07 -60.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.5 t90 -45.15 -42.68 9.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.766 HG13 ' CE1' ' A' ' 54' ' ' PHE . 9.8 t -67.26 -48.9 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -58.73 -20.02 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.3 -51.11 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.2 m-70 -59.89 -53.14 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.418 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 23.2 ptm -41.64 -27.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -49.73 -31.58 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 154.71 40.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -6.82 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.34 28.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CE1' HG13 ' A' ' 45' ' ' VAL . 6.6 t80 -94.68 -25.79 16.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 12.23 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.56 157.33 74.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.82 112.57 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.845 ' HA ' HD12 ' A' ' 13' ' ' ILE . 14.3 pt-20 -67.89 -38.57 83.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -47.45 -39.94 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -68.79 -45.29 81.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 10' ' ' GLU . 12.7 mt -58.23 -52.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -47.03 -54.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.41 -55.82 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.15 -49.19 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.2 t -58.25 -41.13 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.1 -37.14 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.9 mtt -66.44 -12.84 59.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.35 36.56 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -111.86 156.24 41.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.08 124.72 8.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -47.52 -60.62 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 2.1 m-20 -40.29 -55.78 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.869 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.52 -45.51 93.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HB3' HG23 ' A' ' 13' ' ' ILE . 27.5 m -56.61 -32.07 64.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.9 mtp180 -78.32 -21.23 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 1.3 mtmp? -74.47 -50.03 19.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.811 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.11 -68.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 35' ' ' ASN . 54.1 t -40.99 -57.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' HA ' HD11 ' A' ' 8' ' ' LEU . 39.1 t80 -47.82 -68.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 21.0 m-85 -48.48 -37.52 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 29' ' ' ALA . 27.2 p -90.38 24.08 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.81 33.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 18.2 t30 47.22 87.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.76 57.84 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.6 164.92 40.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.14 -54.93 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.24 -61.93 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.43 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -42.07 -54.71 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.1 ttm -38.29 -56.71 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -40.81 -54.5 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.811 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 40.1 t90 -50.47 -47.27 57.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.613 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 62.8 t -61.79 -40.61 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.97 -25.44 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -90.14 -21.16 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.775 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 m-70 -91.91 -56.66 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.4 ptm -41.59 -27.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' HIS . 1.4 t0 -53.43 -38.33 63.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.72 151.96 38.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.65 11.51 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 13.2 m-20 -93.68 25.58 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.869 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 7.8 t80 -96.61 -48.19 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.12 67.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 45.6 p-10 -44.68 157.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.443 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.95 104.73 10.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.2 pt-20 -72.25 -38.02 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -42.16 -38.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.87 -56.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 10' ' ' GLU . 6.6 mt -48.58 -46.47 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -53.12 -54.26 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.84 -60.75 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 12.5 mt -48.23 -47.71 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 t -62.2 -39.01 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.32 -32.98 74.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 87.5 mtp -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.62 61.17 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.38 161.99 47.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.517 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' CYS . 10.9 ttm -46.19 -63.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 85.6 m-20 -39.99 -55.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.627 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.41 -43.3 83.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' MET . 50.9 m -59.26 -41.41 88.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -31.25 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -61.33 -51.92 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.54 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.635 HG21 HG13 ' A' ' 13' ' ' ILE . 98.2 t -39.97 -55.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.0 m-85 -51.18 -36.41 41.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.4 p -90.47 21.22 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 37.22 39.49 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 45.75 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -34.22 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.19 10.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.59 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.74 -59.08 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.04 -58.21 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -52.24 -55.26 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -37.94 -56.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -41.86 -60.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 57.1 t90 -46.06 -41.83 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.748 HG13 ' CE1' ' A' ' 54' ' ' PHE . 7.1 t -67.6 -49.67 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 mmt -56.63 -20.81 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.16 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -69.48 -51.81 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptm -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 49' ' ' MET . 23.8 t70 -51.78 -36.35 47.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 150.24 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.2 p30 -92.09 21.99 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CE1' HG13 ' A' ' 45' ' ' VAL . 8.1 t80 -89.06 -41.73 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.13 80.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 4.7 m-20 -41.09 157.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -135.07 104.15 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.2 mp0 -58.25 -44.98 88.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -40.97 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.19 -44.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 10' ' ' GLU . 8.1 mt -58.98 -51.36 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -47.81 -51.01 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -49.63 -59.84 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 ' HG2' ' A' ' 42' ' ' MET . 12.9 mt -49.03 -51.26 32.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 ' HE3' ' A' ' 23' ' ' MET . 53.2 t -58.64 -38.29 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -37.8 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.03 -15.98 63.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.88 56.18 0.63 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -134.35 158.54 74.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.554 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -50.66 -62.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 15.5 m-20 -40.04 -57.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -53.66 -44.54 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' CB ' HG23 ' A' ' 13' ' ' ILE . 61.6 m -60.01 -47.62 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -63.33 -31.38 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.6 mtmt -63.65 -50.39 69.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.754 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.93 -67.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 35' ' ' ASN . 75.3 t -41.24 -55.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -49.62 -66.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.1 m-85 -52.73 -30.36 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 29' ' ' ALA . 74.5 p -94.05 24.83 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.74 35.43 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' HA ' HG13 ' A' ' 30' ' ' VAL . 25.6 t30 43.47 60.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.73 57.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.86 160.82 36.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.7 -56.23 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.88 -55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -49.49 -51.85 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.571 ' HG2' HD21 ' A' ' 16' ' ' LEU . 1.3 mtm -47.79 -53.67 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.69 -49.42 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 34.2 t90 -55.58 -45.41 77.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.822 HG13 ' CE1' ' A' ' 54' ' ' PHE . 38.8 t -58.4 -72.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -43.28 -26.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -82.33 -60.31 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 1.4 m-70 -53.86 -44.48 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.477 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 2.4 ppp? -40.69 -27.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 48' ' ' HIS . 86.9 m-20 -45.56 -51.68 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 154.05 57.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.24 16.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.4 m-20 -92.3 25.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.822 ' CE1' HG13 ' A' ' 45' ' ' VAL . 10.7 t80 -86.8 -24.09 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.87 20.17 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 6.1 m-20 -90.5 157.44 44.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.65 107.49 14.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.875 ' HA ' HD12 ' A' ' 13' ' ' ILE . 18.3 pt-20 -69.06 -41.26 77.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -37.93 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG13 ' HA ' ' A' ' 38' ' ' ALA . 23.9 t -70.34 -44.3 77.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.4 mt -60.92 -48.71 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.5 mp -50.76 -49.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -55.66 -55.38 32.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.51 -51.02 58.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' SD ' ' A' ' 23' ' ' MET . 61.8 t -62.83 -29.92 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.12 -31.24 71.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.2 mtm -75.03 -28.14 60.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.73 49.28 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.1 157.57 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.01 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -42.86 -61.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.21 -53.71 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 54' ' ' PHE . . . -59.54 -43.69 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' MET . 56.5 m -60.32 -36.38 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -73.5 -24.18 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 30.6 mtmt -70.12 -50.12 43.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.869 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -53.97 -71.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 99.4 t -40.24 -55.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -48.84 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -53.42 -54.82 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 20.7 p -58.13 -25.38 61.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 79.11 45.98 8.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 45.2 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.79 -36.63 3.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.59 150.86 5.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -41.73 -62.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.44 -61.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -50.05 -53.18 28.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -40.62 -55.06 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -39.81 -59.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.869 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 43.0 t90 -45.08 -47.7 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.744 HG13 ' CE1' ' A' ' 54' ' ' PHE . 60.8 t -64.09 -50.65 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.4 mmt -45.71 -27.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -62.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 18.3 m-70 -47.59 -36.97 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.48 -17.37 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.58 39.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.9 152.44 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.455 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 p-10 -92.59 28.21 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.744 ' CE1' HG13 ' A' ' 45' ' ' VAL . 41.2 t80 -94.05 -22.17 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.37 21.16 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 3.1 m-20 -90.91 157.43 43.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 112.04 24.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.83 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.5 pt-20 -74.13 -38.84 63.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 6.1 m -46.88 -37.62 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 38' ' ' ALA . 25.6 t -71.71 -47.34 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 10' ' ' GLU . 19.9 mt -56.06 -52.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.44 -55.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.2 -61.1 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -47.67 -50.95 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.12 -33.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -61.69 -37.36 83.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -22.81 66.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 47.55 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.07 155.04 71.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -44.01 -62.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -56.25 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.694 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -59.3 -41.71 89.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.565 ' HB3' HG23 ' A' ' 13' ' ' ILE . 21.2 m -59.19 -41.43 88.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -65.97 -35.51 80.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -56.96 -50.93 71.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 33' ' ' THR . . . -52.38 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 86.7 t -41.91 -57.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -47.03 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.736 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -45.86 -56.41 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.855 HG21 ' HA ' ' A' ' 41' ' ' ALA . 51.2 p -58.09 -22.46 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.44 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 75.72 39.45 34.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 49.02 89.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -117.87 -37.74 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.63 156.59 8.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -47.75 -59.94 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.97 -58.22 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.81 -62.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.855 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -54.83 -51.79 64.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.95 -55.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.44 -57.52 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.789 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 80.4 t90 -47.29 -44.63 23.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 48.3 t -67.02 -57.63 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.6 mmt -41.44 -30.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 4.3 m -91.37 -54.19 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.4 m-70 -52.26 -44.36 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -17.93 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 47' ' ' SER . 7.6 t0 -52.82 -50.22 64.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 152.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 t0 -92.49 28.11 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.694 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.7 t80 -93.4 -43.13 8.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 51.6 p-10 -41.33 156.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 31' ' ' TYR . 2.5 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 95.09 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.795 ' HA ' HD12 ' A' ' 13' ' ' ILE . 4.3 mp0 -55.63 -51.77 66.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.01 -41.17 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.68 -47.62 69.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.3 mt -56.05 -49.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.5 mp -50.22 -50.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -51.98 -54.46 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.2 -48.08 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 46.4 t -62.25 -28.99 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.7 mm-40 -66.49 -33.99 76.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -19.24 64.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.41 49.79 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -128.99 156.12 78.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.03 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -44.59 -62.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.19 -45.0 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.549 ' CB ' HG23 ' A' ' 13' ' ' ILE . 64.2 m -60.34 -46.41 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.16 -31.1 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -62.66 -53.32 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.774 ' O ' HG23 ' A' ' 33' ' ' THR . . . -53.66 -67.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 35' ' ' ASN . 68.1 t -40.55 -57.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.439 ' HA ' HD11 ' A' ' 8' ' ' LEU . 43.2 t80 -49.68 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 20.3 m-85 -49.55 -34.65 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.9 p -94.55 22.24 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.25 40.48 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' HA ' HG13 ' A' ' 30' ' ' VAL . 43.6 t-20 45.05 84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.5 m -124.28 57.31 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.06 168.69 45.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.01 -53.89 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.83 -59.21 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -47.82 -65.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -54.56 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.38 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.85 -56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.01 -56.35 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 34.1 t90 -48.44 -46.4 37.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 ' CE1' ' A' ' 54' ' ' PHE . 59.2 t -64.4 -53.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.3 mmt -43.4 -27.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 -63.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.754 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 7.9 m-70 -47.76 -36.79 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.488 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.54 -17.56 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -94.99 40.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.87 153.55 26.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.87 28.01 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE1' HG13 ' A' ' 45' ' ' VAL . 35.9 t80 -88.09 -57.97 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.75 88.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.45 157.28 0.17 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 8' ' ' LEU . 9.8 tp . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -73.93 93.92 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.69 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -62.9 -47.66 82.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -40.13 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.59 -52.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 10' ' ' GLU . 11.8 mt -52.52 -49.91 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -48.35 -54.97 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -45.29 -66.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.8 mt -45.0 -51.47 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.65 -41.1 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -38.44 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -62.99 -23.23 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 58.8 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -137.01 162.1 57.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 129.63 12.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -50.64 -62.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.1 m-20 -40.18 -55.94 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.753 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -59.61 -41.73 91.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' MET . 19.1 m -58.95 -43.9 91.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -63.45 -35.82 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -58.08 -60.13 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' THR . . . -48.89 -62.23 1.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 HG13 ' A' ' 13' ' ' ILE . 55.3 t -49.04 -55.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -50.58 -66.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.699 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.6 m-85 -47.6 -46.42 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' ALA . 24.3 p -87.14 14.65 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 37.39 53.6 1.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 18.1 p30 39.4 53.93 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.4 m -88.76 41.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 135.48 7.47 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.74 -58.57 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 -57.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.66 -65.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -40.6 -51.6 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 ttp -47.45 -54.74 10.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -44.31 -51.21 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 47.2 t90 -53.05 -45.43 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 29' ' ' ALA . 72.5 t -62.15 -57.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -47.76 -23.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -29.8 16.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.7 m-70 -84.85 -60.08 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.48 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -44.89 -25.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -50.72 -22.79 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.54 155.72 45.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.74 20.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -92.57 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.753 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 9.0 t80 -91.88 -47.27 7.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.23 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -45.99 155.53 0.51 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -136.45 113.15 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.993 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.1 pt-20 -72.11 -38.42 69.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.5 m -48.71 -34.42 11.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -73.72 -40.24 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.993 HD12 ' HA ' ' A' ' 10' ' ' GLU . 15.8 mt -63.41 -51.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -46.44 -54.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.84 -61.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 17.7 mt -46.77 -50.01 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.18 -40.24 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -39.57 73.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -22.28 66.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.01 45.11 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.44 154.43 66.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 120.6 6.14 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -41.25 -62.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -40.34 -55.09 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.713 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.8 -40.35 92.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.567 ' CB ' HG23 ' A' ' 13' ' ' ILE . 52.8 m -60.35 -41.26 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 8.3 mtp180 -66.9 -32.78 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.3 mtmt -60.17 -50.64 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.754 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.26 -68.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG12 ' HG ' ' A' ' 8' ' ' LEU . 62.9 t -40.69 -56.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.636 ' HA ' HD11 ' A' ' 8' ' ' LEU . 40.6 t80 -48.1 -67.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -48.81 -38.63 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' ALA . 22.9 p -89.89 21.5 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.29 38.2 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' HG13 ' A' ' 30' ' ' VAL . 14.8 t30 46.76 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 12.8 m -129.41 55.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.39 167.16 43.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.64 -57.29 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -43.25 -57.95 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -51.5 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -56.12 4.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.2 mtm -38.7 -55.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.25 -53.88 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 26.7 t90 -51.23 -44.19 61.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 108.018 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 42.1 t -64.24 -48.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -58.33 -23.57 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -22.37 20.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.4 m-70 -92.11 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -39.4 -28.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -44.81 -35.91 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.76 152.65 38.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.32 28.09 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.8 t80 -92.88 -37.96 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.19 -16.45 63.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.2 157.38 2.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 13' ' ' ILE . 2.7 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -120.42 99.18 6.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HA ' HD12 ' A' ' 13' ' ' ILE . 13.2 mp0 -59.37 -51.42 70.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -39.36 -40.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.63 -50.62 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 10' ' ' GLU . 6.2 mt -53.62 -49.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.9 mp -51.84 -48.59 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.0 -53.89 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 42' ' ' MET . 18.6 mt -58.17 -50.04 74.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.07 -35.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.96 -38.61 67.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.9 mtm -68.15 -9.71 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.59 51.77 1.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -127.51 159.33 66.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.522 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.05 141.94 27.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.2 mtp -59.71 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' MET . 16.6 m-20 -39.72 -61.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.737 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -48.8 -46.29 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 m -59.96 -50.83 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -58.31 -39.05 78.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.4 mtmt -52.94 -52.55 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.674 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -52.0 -71.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 39.6 t -42.83 -57.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -44.14 -64.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -53.01 -55.78 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 14.6 p -58.23 -19.82 36.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 70.51 53.94 11.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 44.08 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.721 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 11.8 m -138.03 44.33 2.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.46 166.72 37.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.91 -53.75 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.75 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.492 ' HG3' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -40.96 -56.01 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 t-20 -40.13 -58.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.8 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 55.8 t90 -46.88 -46.6 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.706 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 49.6 t -64.2 -48.34 86.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.1 mmt -53.13 -23.67 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -47.68 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.7 m-70 -63.78 -52.43 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -47.2 -23.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.79 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -94.23 28.06 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.737 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 4.6 t80 -95.57 -51.53 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . . . -59.5 -28.41 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' ALA . 30.0 p-10 -40.46 157.31 0.17 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.89 107.31 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.818 ' HA ' HD12 ' A' ' 13' ' ' ILE . 20.5 pt-20 -69.24 -38.02 78.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -42.64 -43.26 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 38' ' ' ALA . 25.3 t -68.15 -48.12 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.966 HG23 ' CB ' ' A' ' 26' ' ' CYS . 8.0 mt -56.17 -50.91 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -48.68 -54.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.43 -50.8 51.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.48 -50.43 73.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.18 -31.29 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -41.52 98.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.6 mtm -59.32 -29.47 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.15 52.9 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -130.21 157.77 76.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.78 6.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.97 -57.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.17 -53.72 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.814 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.26 -43.86 83.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.966 ' CB ' HG23 ' A' ' 13' ' ' ILE . 88.6 m -61.65 -42.62 99.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -71.64 -17.48 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 21.8 mtmt -78.3 -57.14 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -47.25 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.7 t -44.95 -61.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.13 -59.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 29.6 m-85 -57.18 -55.6 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 31.7 p -59.89 -14.74 16.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 68.28 38.58 87.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 56.18 103.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 m -129.62 -45.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.04 159.1 11.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -51.13 -58.77 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -58.63 7.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -53.4 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.51 -53.18 60.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.68 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.29 -57.82 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.8 t90 -47.43 -43.82 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 54' ' ' PHE . 35.2 t -66.78 -46.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 mmt -58.86 -23.49 60.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -90.04 -47.31 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -62.76 -53.11 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.4 ptm -40.96 -27.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' HIS . 51.0 t0 -47.82 -31.81 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -101.63 149.22 36.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.53 21.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.456 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 1.3 m-20 -92.48 25.37 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.814 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 7.6 t80 -83.53 -46.38 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.93 84.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.8 m-20 -40.98 155.64 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 30' ' ' VAL . 1.2 tp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.64 111.37 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.796 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.3 pt-20 -60.2 -39.85 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 m -45.46 -41.99 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.74 -53.88 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 10' ' ' GLU . 10.0 mt -47.49 -52.94 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.85 -54.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -62.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 21.4 mt -51.69 -50.66 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.72 -43.82 56.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -45.17 51.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -54.66 -18.24 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.19 13.2 13.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.64 153.52 55.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.96 128.92 11.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.9 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -40.06 -57.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.6 -43.49 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' MET . 93.6 m -62.49 -49.89 73.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.1 mtmt -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.521 ' HB2' HG22 ' A' ' 45' ' ' VAL . . . -55.99 -70.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 8' ' ' LEU . 94.0 t -38.79 -53.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -53.78 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.4 m-85 -42.07 -62.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 p -57.13 -26.71 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.21 39.74 12.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 53.51 101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.4 m -146.69 45.27 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.49 168.05 42.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -50.48 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -43.93 -57.53 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.464 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 2.0 ttp -37.87 -57.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.15 -59.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 25.8 t90 -46.85 -43.93 19.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.806 HG13 ' CE1' ' A' ' 54' ' ' PHE . 14.0 t -65.27 -50.72 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE2' ' HG2' ' A' ' 42' ' ' MET . 27.9 mmt -52.84 -22.99 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 -62.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 5.4 m-70 -51.34 -41.16 60.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.482 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.72 -28.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' HIS . 38.7 t70 -52.81 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.72 146.05 37.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -12.77 21.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.52 28.02 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.806 ' CE1' HG13 ' A' ' 45' ' ' VAL . 9.6 t80 -79.42 -44.2 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.82 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.32 170.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.65 103.87 8.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.87 ' HA ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -64.41 -49.14 72.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -36.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.47 -51.86 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 10' ' ' GLU . 9.0 mt -52.09 -48.61 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.6 mp -50.96 -48.76 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.29 -58.74 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 21.8 mt -50.75 -51.98 45.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.69 -39.67 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.87 -43.58 73.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.1 mtm -62.22 -20.11 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 57.42 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.38 157.59 77.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 116.93 4.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -40.6 -61.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 1.3 m-20 -40.32 -50.27 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -64.43 -43.88 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' HG23 ' A' ' 13' ' ' ILE . 53.9 m -59.3 -30.68 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -34.37 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mtmm -59.97 -48.92 79.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 33' ' ' THR . . . -51.86 -69.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 48.9 t -43.11 -58.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -44.32 -71.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.8 m-85 -47.23 -57.03 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 29' ' ' ALA . 47.2 p -58.93 -15.79 14.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 66.42 42.0 94.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 52.02 99.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -147.03 41.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.38 168.32 41.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.68 -48.68 14.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -61.6 1.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.36 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -42.58 -52.96 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -45.62 -52.94 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.47 -49.32 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.769 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 54.1 t90 -55.19 -44.44 75.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.526 HG22 ' HB2' ' A' ' 29' ' ' ALA . 39.7 t -59.89 -71.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.402 ' CE ' ' HB ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.35 -24.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 m -85.74 -36.24 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.769 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -76.55 -53.77 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.442 ' HA ' ' CB ' ' A' ' 54' ' ' PHE . 21.2 ptm -39.21 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' HIS . 27.6 t70 -41.82 -38.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.08 154.74 37.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.56 18.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.93 28.12 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.641 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 11.1 t80 -89.86 -42.96 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.13 72.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 51.2 p-10 -40.64 156.74 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 115.47 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 14' ' ' ILE . 12.0 pt-20 -69.88 -39.66 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.7 m -46.62 -35.58 6.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 38' ' ' ALA . 24.3 t -75.02 -45.9 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.614 HG23 ' HB3' ' A' ' 26' ' ' CYS . 43.2 mt -62.24 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -39.49 -56.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -48.67 -63.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.67 -49.21 14.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.511 HG11 ' HE3' ' A' ' 23' ' ' MET . 10.9 t -59.3 -43.24 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.63 -39.11 73.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.5 mtm -63.38 -18.42 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.46 56.79 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.29 159.29 72.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 137.42 21.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.419 1.747 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.511 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -52.49 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 41.0 m-20 -40.24 -65.9 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -45.79 -48.07 15.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.614 ' HB3' HG23 ' A' ' 13' ' ' ILE . 17.1 m -58.04 -42.62 85.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -65.49 -35.1 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -60.02 -54.5 45.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 33' ' ' THR . . . -51.88 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 35' ' ' ASN . 79.3 t -40.19 -56.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -51.85 -65.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 13.2 m-85 -49.9 -34.12 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 29' ' ' ALA . 30.0 p -92.15 24.28 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.37 40.03 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.41 ' HA ' HG13 ' A' ' 30' ' ' VAL . 29.5 t30 44.06 56.67 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -47.58 48.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.68 160.65 23.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.627 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -55.36 -54.15 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -58.59 7.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.83 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -45.16 -52.81 8.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -39.47 -55.03 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.59 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.804 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 29.9 t90 -49.78 -44.29 48.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 42.0 t -65.18 -47.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.7 mmt -56.17 -23.69 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -37.59 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.7 m-70 -75.43 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.7 ptm -40.81 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 42.3 t0 -51.84 -36.74 49.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.79 153.5 37.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.93 28.1 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.71 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.4 t80 -96.79 -24.85 15.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.0 14.16 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.05 157.38 71.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.81 114.23 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.967 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.5 pt-20 -69.55 -44.06 71.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -43.15 -36.9 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.03 -51.57 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.967 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.8 mt -51.79 -47.11 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.78 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.7 mp -53.24 -50.17 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.47 -52.42 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 45' ' ' VAL . 9.5 mt -59.58 -47.46 85.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 42.5 t -60.27 -29.75 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -18.06 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.11 44.01 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.5 154.55 59.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.02 122.71 7.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.404 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -37.71 -63.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.4 m-20 -40.21 -57.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.17 -43.33 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.613 ' HB3' HG23 ' A' ' 13' ' ' ILE . 23.2 m -58.37 -45.0 89.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -63.69 -37.19 86.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 33.2 mtmt -55.34 -50.99 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.91 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 35' ' ' ASN . 87.1 t -40.34 -55.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -50.44 -67.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.64 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.3 m-85 -48.81 -37.1 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.6 p -90.04 22.61 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.88 41.37 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HA ' HG13 ' A' ' 30' ' ' VAL . 18.1 t30 40.52 70.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -112.08 52.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.97 164.69 40.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.16 -58.81 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.18 -54.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -48.59 -55.81 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.96 -57.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -40.06 -56.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.773 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.6 t90 -48.6 -47.5 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 16' ' ' LEU . 12.7 t -56.05 -68.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -48.12 -22.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.43 -31.33 18.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.773 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.3 m-70 -88.36 -61.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.89 -28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -49.32 -29.68 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.03 161.44 30.99 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.88 28.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.617 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 14.6 t80 -106.15 -42.83 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.08 -33.96 74.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.6 157.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -145.82 131.09 18.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 92.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -54.84 -76.19 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.97 -61.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.967 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 73.2 m 64.68 157.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.35 102.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 tp 55.7 167.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.63 110.87 13.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.81 ' HA ' HD12 ' A' ' 13' ' ' ILE . 17.4 pt-20 -73.96 -37.81 64.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -44.23 -41.6 5.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.64 -48.74 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 10' ' ' GLU . 13.3 mt -54.69 -53.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -44.44 -58.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.4 mt-30 -45.27 -65.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.595 HD21 ' HG3' ' A' ' 42' ' ' MET . 19.4 mt -46.12 -50.02 15.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.82 -33.31 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 15' ' ' GLN . 1.6 mt-10 -72.87 -29.03 62.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.5 mtm -71.43 -18.64 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.55 52.72 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -133.19 157.99 76.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.0 124.76 8.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -42.34 -62.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' MET . 79.6 m-20 -40.2 -59.91 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.582 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.22 -44.62 64.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' CB ' HG23 ' A' ' 13' ' ' ILE . 99.3 m -60.6 -38.75 85.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.25 -18.9 60.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 25.1 mtmt -75.66 -49.8 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.735 ' O ' HG23 ' A' ' 33' ' ' THR . . . -52.86 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.9 t -42.82 -56.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -48.33 -70.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.801 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.3 m-85 -45.01 -57.83 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.8 p -58.25 -23.44 56.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 76.42 39.26 31.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.549 1.155 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' GLY . 29.7 t-20 50.86 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -148.39 46.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.03 166.63 40.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.19 -52.23 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.91 -54.37 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.1 -54.85 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -50.73 -55.56 16.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.595 ' HG3' HD21 ' A' ' 16' ' ' LEU . 3.5 mtt -46.55 -54.97 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -42.28 -58.6 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.801 ' CZ2' ' CD2' ' A' ' 32' ' ' TYR . 71.8 t90 -47.22 -41.58 18.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 108.034 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.706 HG13 ' CE1' ' A' ' 54' ' ' PHE . 12.0 t -68.16 -49.57 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -56.07 -25.07 43.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.14 -47.33 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -63.57 -55.13 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.4 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 24.3 ptm -40.37 -28.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 19.0 t0 -50.39 -32.64 18.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.4 153.27 38.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -9.4 20.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -92.9 27.38 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CE1' HG13 ' A' ' 45' ' ' VAL . 3.7 t80 -89.03 -50.51 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.75 81.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -40.55 155.96 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -178.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 162.35 23.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -40.61 137.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mt -99.49 154.79 37.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 76.44 3.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.91 80.31 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.03 124.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 p -118.72 -57.28 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.27 80.98 0.32 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.73 41.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -129.82 69.48 0.53 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -141.46 149.61 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 -60.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.38 95.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 126.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.8 t -55.55 -59.69 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.31 158.31 15.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.964 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.9 98.73 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -173.33 138.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 138.27 4.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.087 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.57 161.99 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -89.96 168.67 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.1 -179.49 46.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' CD1' HG12 ' A' ' 30' ' ' VAL . 3.0 tp -106.88 163.12 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 112.48 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.923 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.0 pt-20 -70.89 -46.86 61.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -42.16 -38.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.001 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.1 t -71.92 -45.64 63.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' A' ' 10' ' ' GLU . 12.5 mt -57.71 -50.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.7 mp -48.53 -49.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.0 -61.72 2.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.54 -51.71 45.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.69 -37.78 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.87 -41.06 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mtm -62.81 -16.61 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.25 52.48 0.77 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -128.4 158.73 70.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.46 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 123.84 8.16 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -46.77 -61.41 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.26 -55.64 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 54' ' ' PHE . . . -59.06 -41.07 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' MET . 33.9 m -60.87 -41.56 96.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.7 mtp180 -71.34 -21.12 62.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 24.4 mtmt -73.37 -48.75 31.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 33' ' ' THR . . . -55.04 -67.37 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.427 HG12 ' CD1' ' A' ' 8' ' ' LEU . 84.7 t -43.79 -53.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -50.99 -71.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.679 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -44.54 -57.06 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.6 p -58.73 -25.71 63.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.29 46.04 9.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 47.52 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.764 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.8 OUTLIER -143.79 54.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 166.7 31.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.89 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -45.9 -58.95 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -52.33 -62.72 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.576 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -46.01 -51.75 13.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -43.29 -53.43 5.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -41.56 -56.84 2.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.8 t90 -48.19 -44.7 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.703 HG13 ' CE1' ' A' ' 54' ' ' PHE . 48.4 t -66.4 -48.2 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -49.97 -25.47 3.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -92.31 -53.52 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 6.5 m-70 -56.84 -47.48 80.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.502 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 3.8 ptt? -44.74 -25.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -88.85 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.95 152.59 11.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -12.56 21.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 m-20 -92.48 28.19 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.703 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.1 t80 -95.49 -42.21 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.91 19.2 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 42.6 p-10 -92.18 157.22 41.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.59 42.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tp -82.8 127.1 33.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mt 58.18 109.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.64 155.98 66.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.06 135.09 12.56 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.53 85.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 110.026 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.4 m -65.12 95.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.16 -145.66 5.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.4 18.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.03 143.93 45.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.3 p -156.84 -61.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.06 153.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.91 97.25 1.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.49 4.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.68 80.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.062 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t 62.15 88.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -80.5 -58.5 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -131.83 94.44 3.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.26 -60.06 0.26 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 m -115.21 124.81 52.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -100.64 88.17 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 176.63 25.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -101.21 162.73 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 1.1 m-20 -119.68 110.77 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.863 ' HA ' HD12 ' A' ' 13' ' ' ILE . 12.7 pt-20 -69.02 -43.13 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -42.93 -35.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.9 t -72.54 -53.41 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 10' ' ' GLU . 10.5 mt -50.69 -50.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -48.89 -53.21 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.61 -60.86 2.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.39 -50.15 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.13 -36.8 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -26.74 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.7 mtt -78.13 -13.16 59.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.46 49.66 1.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -125.5 157.77 66.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.03 131.25 14.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' ARG . 6.5 mtp -46.61 -63.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.4 m-20 -40.4 -64.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -47.96 -46.71 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HB3' HG23 ' A' ' 13' ' ' ILE . 8.9 m -58.04 -41.81 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' MET . 10.1 mtp180 -66.86 -34.88 78.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HG2' HD13 ' A' ' 58' ' ' LEU . 1.4 mtmt -57.9 -50.9 71.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.16 -70.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG13 ' HA ' ' A' ' 35' ' ' ASN . 61.9 t -40.29 -55.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' HA ' HD11 ' A' ' 8' ' ' LEU . 26.9 t80 -48.95 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 23.0 m-85 -48.99 -37.58 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 29' ' ' ALA . 26.8 p -89.42 21.02 3.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.09 46.26 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.57 ' HA ' HG13 ' A' ' 30' ' ' VAL . 21.7 t-20 40.64 67.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.54 -40.11 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.17 156.39 9.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.66 -61.55 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -51.12 -57.76 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.8 -62.36 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -48.27 -51.35 26.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.4 ttp -37.94 -55.26 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -43.26 -52.1 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.785 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 40.2 t90 -52.8 -42.87 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.047 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.596 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 43.0 t -65.1 -48.77 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 mmt -59.07 -20.87 57.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.87 -24.99 19.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.785 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 10.7 m-70 -91.95 -62.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -41.39 -27.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -49.65 -23.77 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.32 157.87 48.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -4.67 15.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -94.22 28.0 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.688 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.1 t80 -97.67 -43.32 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.41 69.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -40.52 157.36 0.17 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 28' ' ' LYS . 11.5 tp -100.58 115.41 30.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mp -46.44 110.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.82 155.0 2.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.91 5.86 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.67 147.19 32.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -150.47 -61.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.63 103.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 57.49 -145.94 38.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.12 -157.98 9.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.7 p 60.13 162.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -153.95 150.51 28.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 168.71 97.25 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 61.31 5.65 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.73 140.88 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.26 -58.69 5.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -174.4 119.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m 71.3 -60.95 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.56 -119.76 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -103.79 -62.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t 51.85 91.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.56 -72.39 1.08 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.565 ' HG ' HG12 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -81.95 170.76 15.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.1 127.48 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.894 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.3 pt-20 -80.59 -38.51 29.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.2 t -47.98 -37.17 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.6 -40.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.894 HD12 ' HA ' ' A' ' 10' ' ' GLU . 19.3 mt -63.8 -52.17 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -46.27 -52.27 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -48.92 -62.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.434 HD21 ' HG3' ' A' ' 42' ' ' MET . 25.1 mt -48.26 -51.77 24.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG11 ' HE3' ' A' ' 23' ' ' MET . 72.6 t -56.83 -38.14 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.68 -37.57 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mtm -66.81 -19.02 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.76 55.08 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -130.94 158.37 75.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.04 134.11 17.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.496 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -48.32 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -39.8 -59.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -49.23 -45.25 44.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' MET . 68.8 m -62.38 -56.3 19.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -53.64 -34.49 58.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG2' HD11 ' A' ' 58' ' ' LEU . 27.3 mtmt -59.19 -57.01 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 33' ' ' THR . . . -49.55 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG12 ' HG ' ' A' ' 8' ' ' LEU . 47.9 t -43.01 -59.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.542 ' HA ' HD11 ' A' ' 8' ' ' LEU . 33.0 t80 -47.85 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.657 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 18.2 m-85 -48.29 -41.95 29.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 29' ' ' ALA . 23.5 p -89.46 20.22 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.39 46.36 1.43 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' HG13 ' A' ' 30' ' ' VAL . 30.6 t30 40.24 85.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -124.46 47.03 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.0 169.41 35.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.37 -54.34 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -59.43 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.25 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.64 -56.47 3.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -39.22 -57.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -41.33 -57.61 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 32.0 t90 -46.59 -44.87 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 108.015 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' A' ' 54' ' ' PHE . 59.8 t -67.54 -56.9 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -37.94 -30.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.3 m -92.2 -58.12 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.6 m-70 -49.03 -39.35 26.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.495 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -57.9 -15.72 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.71 42.43 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.8 152.7 16.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.63 20.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 16.7 p-10 -92.61 28.22 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.8 t80 -85.57 -49.85 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -38.05 72.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.5 m-20 -40.97 157.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.09 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.469 HD11 ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -81.09 155.52 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -46.34 115.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.39 160.38 0.31 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.73 38.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.34 -105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.99 118.73 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.0 t -159.76 160.49 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -37.56 98.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.51 17.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.97 90.09 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.73 130.62 44.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.019 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 m -131.48 104.24 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.38 78.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 87.51 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.791 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -55.27 105.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m 61.89 151.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -141.5 144.59 34.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 109.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.38 108.45 15.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.88 81.83 0.9 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -142.34 -58.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 110.01 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -60.92 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.36 -74.22 0.35 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.564 1.165 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 31' ' ' TYR . 1.2 mp -125.25 165.62 17.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.93 111.64 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.917 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.8 pt-20 -64.37 -38.04 89.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -46.58 -38.63 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.57 -45.98 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.5 mt -58.25 -49.67 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -49.58 -55.19 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -48.65 -57.38 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.99 -49.53 68.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 23' ' ' MET . 92.5 t -59.73 -32.5 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.7 mm-40 -63.5 -41.6 98.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -26.41 67.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.17 57.91 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.41 161.34 61.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.91 13.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.655 ' HG2' HG21 ' A' ' 17' ' ' VAL . 12.4 mtp -52.85 -55.67 21.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -55.71 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.836 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.76 -38.68 86.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.672 ' CB ' HG23 ' A' ' 13' ' ' ILE . 93.7 m -61.94 -38.21 87.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -75.8 -18.85 59.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.881 ' HG2' HD13 ' A' ' 58' ' ' LEU . 26.6 mtmt -77.22 -50.51 12.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.78 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -55.16 -65.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 35' ' ' ASN . 81.6 t -40.49 -55.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HA ' HD11 ' A' ' 8' ' ' LEU . 37.7 t80 -51.96 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.3 m-85 -50.85 -21.0 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 36.6 p -108.67 26.49 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.06 31.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' HG13 ' A' ' 30' ' ' VAL . 20.1 t30 50.61 66.56 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.59 -47.87 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.14 162.06 26.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.82 -58.32 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -60.45 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.28 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -50.88 -51.78 48.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.78 -55.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.12 -55.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.78 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 32.2 t90 -49.7 -44.63 48.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.519 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 48.1 t -65.43 -51.1 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 mmt -49.0 -26.14 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -88.79 -64.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 12.2 m-70 -47.44 -43.48 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.573 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -53.02 -19.17 2.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 47' ' ' SER . 22.4 t0 -60.48 -30.26 69.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 148.26 34.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -7.99 19.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.73 27.82 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.836 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 10.7 t80 -93.27 -27.87 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -84.08 6.31 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -78.55 171.55 12.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.96 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 ' HG2' ' A' ' 28' ' ' LYS . 11.5 tp -108.39 137.81 45.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -47.01 134.03 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.94 155.52 83.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.4 8.58 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.417 1.746 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.85 -153.33 17.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.85 89.43 7.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -145.2 97.26 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.67 157.51 1.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -57.2 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.3 -108.83 3.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.7 t 64.91 134.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -158.9 97.11 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -111.42 97.29 0.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -58.92 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.9 m -84.63 159.48 20.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.2 p -56.0 103.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 54.78 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.25 -144.86 17.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.18 112.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.04 162.35 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.52 -88.48 0.85 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -118.63 166.28 12.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.763 . . . . 0.0 109.251 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -130.35 92.42 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.808 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.8 OUTLIER -48.13 -47.58 34.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -39.88 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -71.83 -45.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 10' ' ' GLU . 14.9 mt -59.12 -51.08 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.6 mp -47.65 -48.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.08 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD21 ' CG ' ' A' ' 42' ' ' MET . 16.4 mt -48.34 -50.65 29.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.95 -34.89 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -62.01 -34.07 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.3 mtp -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.25 56.21 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.39 156.09 80.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.5 0.765 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.04 118.26 5.19 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -37.91 -62.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.3 m-20 -40.35 -59.62 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.595 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -52.69 -45.3 66.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB3' HG23 ' A' ' 13' ' ' ILE . 65.1 m -59.55 -39.1 82.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 108.332 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -74.36 -21.61 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.612 ' HG2' HD13 ' A' ' 58' ' ' LEU . 27.9 mtmt -72.77 -49.64 29.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.698 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -55.03 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 58.8 t -39.71 -54.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -51.36 -61.3 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -57.4 -54.19 49.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.406 ' H ' ' HG1' ' A' ' 33' ' ' THR . 32.3 p -58.44 -24.95 61.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 78.39 46.77 8.66 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 40.7 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.44 37.77 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.5 172.11 30.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 -51.25 7.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.77 -52.18 43.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -60.95 -54.63 42.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.491 ' CG ' HD21 ' A' ' 16' ' ' LEU . 56.4 mtt -40.79 -54.65 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -41.07 -60.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.5 t90 -45.15 -42.68 9.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.987 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.766 HG13 ' CE1' ' A' ' 54' ' ' PHE . 9.8 t -67.26 -48.9 76.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mmt -58.73 -20.02 45.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.3 -51.11 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.2 m-70 -59.89 -53.14 61.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.418 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 23.2 ptm -41.64 -27.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -49.73 -31.58 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 154.71 40.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -6.82 18.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.34 28.1 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CE1' HG13 ' A' ' 45' ' ' VAL . 6.6 t80 -94.68 -25.79 16.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.98 12.23 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.56 157.33 74.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.09 23.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.612 HD13 ' HG2' ' A' ' 28' ' ' LYS . 36.9 tp -90.87 146.83 23.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.05 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.27 161.24 0.24 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.44 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.99 112.64 0.38 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -59.77 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.9 t -80.5 107.91 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.58 -146.39 4.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.05 30.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.535 1.808 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.63 131.13 6.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 94.7 p -133.39 119.11 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -151.77 116.82 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.23 162.33 27.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.2 t -144.77 -58.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 t -61.07 -58.39 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.52 147.63 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -156.84 117.84 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.2 -169.21 15.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -170.07 146.6 3.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m 67.51 131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.976 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.83 -62.95 0.92 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -79.26 168.94 18.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.82 112.57 7.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.845 ' HA ' HD12 ' A' ' 13' ' ' ILE . 14.3 pt-20 -67.89 -38.57 83.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -47.45 -39.94 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -68.79 -45.29 81.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 10' ' ' GLU . 12.7 mt -58.23 -52.41 59.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -47.03 -54.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.41 -55.82 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.15 -49.19 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.2 t -58.25 -41.13 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.1 -37.14 63.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.9 mtt -66.44 -12.84 59.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.35 36.56 3.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -111.86 156.24 41.98 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 0.731 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.08 124.72 8.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -47.52 -60.62 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 2.1 m-20 -40.29 -55.78 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.869 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.52 -45.51 93.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HB3' HG23 ' A' ' 13' ' ' ILE . 27.5 m -56.61 -32.07 64.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' MET . 7.9 mtp180 -78.32 -21.23 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' HG2' HD13 ' A' ' 58' ' ' LEU . 1.3 mtmp? -74.47 -50.03 19.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.811 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.11 -68.6 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 35' ' ' ASN . 54.1 t -40.99 -57.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' HA ' HD11 ' A' ' 8' ' ' LEU . 39.1 t80 -47.82 -68.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 21.0 m-85 -48.48 -37.52 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 29' ' ' ALA . 27.2 p -90.38 24.08 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.81 33.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 18.2 t30 47.22 87.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.76 57.84 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.6 164.92 40.01 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.14 -54.93 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.24 -61.93 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.43 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -42.07 -54.71 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 1.1 ttm -38.29 -56.71 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -40.81 -54.5 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.811 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 40.1 t90 -50.47 -47.27 57.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 107.954 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.613 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 62.8 t -61.79 -40.61 87.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.97 -25.44 67.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -90.14 -21.16 22.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.775 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 m-70 -91.91 -56.66 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.4 ptm -41.59 -27.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 48' ' ' HIS . 1.4 t0 -53.43 -38.33 63.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.72 151.96 38.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -1.65 11.51 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.498 1.789 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 13.2 m-20 -93.68 25.58 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.869 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 7.8 t80 -96.61 -48.19 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.12 67.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 45.6 p-10 -44.68 157.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.7 6.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.505 HD13 ' HG2' ' A' ' 28' ' ' LYS . 22.9 tp -95.43 131.54 41.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 mm -53.39 148.34 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.41 154.88 77.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.98 5.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.83 133.16 1.58 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.9 p -163.62 167.18 21.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.13 79.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.47 162.46 9.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.34 2.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.67 95.09 2.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.5 p -89.3 136.29 33.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.63 148.03 25.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.63 157.74 10.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.558 1.161 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -44.13 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.4 157.79 39.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 82.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 106.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.973 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.35 90.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.79 -104.69 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m 63.52 103.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -75.21 140.71 43.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.68 88.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER 56.07 166.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.95 104.73 10.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.2 pt-20 -72.25 -38.02 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -42.16 -38.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.87 -56.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 10' ' ' GLU . 6.6 mt -48.58 -46.47 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -53.12 -54.26 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.84 -60.75 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 12.5 mt -48.23 -47.71 35.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 t -62.2 -39.01 82.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.32 -32.98 74.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 87.5 mtp -68.02 -31.39 71.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.62 61.17 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.38 161.99 47.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.517 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.97 120.45 6.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' CYS . 10.9 ttm -46.19 -63.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 85.6 m-20 -39.99 -55.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.627 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.41 -43.3 83.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' MET . 50.9 m -59.26 -41.41 88.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.55 -31.25 70.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.694 ' HG2' HD13 ' A' ' 58' ' ' LEU . 27.5 mtmt -61.33 -51.92 66.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.54 -67.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.635 HG21 HG13 ' A' ' 13' ' ' ILE . 98.2 t -39.97 -55.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -52.17 -64.8 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.0 m-85 -51.18 -36.41 41.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.4 p -90.47 21.22 4.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 37.22 39.49 0.47 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 45.75 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.26 -34.22 7.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.59 160.19 10.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.02 -59.59 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.74 -59.08 4.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.04 -58.21 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -52.24 -55.26 22.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -37.94 -56.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -41.86 -60.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.799 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 57.1 t90 -46.06 -41.83 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.748 HG13 ' CE1' ' A' ' 54' ' ' PHE . 7.1 t -67.6 -49.67 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 mmt -56.63 -20.81 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -43.16 9.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.5 m-70 -69.48 -51.81 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptm -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 49' ' ' MET . 23.8 t70 -51.78 -36.35 47.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.54 150.24 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.2 p30 -92.09 21.99 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CE1' HG13 ' A' ' 45' ' ' VAL . 8.1 t80 -89.06 -41.73 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.13 80.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 4.7 m-20 -41.09 157.12 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 176.92 9.29 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 28' ' ' LYS . 9.7 tp -90.02 115.94 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.15 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 61' ' ' PRO . 0.3 OUTLIER -80.78 147.19 61.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.557 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.03 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.14 -122.24 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.45 112.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 110.036 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.1 126.12 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.01 158.15 9.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.43 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.15 113.85 4.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.6 t -75.3 98.28 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.2 m -48.39 138.25 10.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.65 82.92 1.45 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 80.06 2.54 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.9 123.07 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.54 109.06 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.19 88.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -80.4 -58.66 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.37 -174.4 52.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 t -107.15 125.52 51.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.77 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -61.99 112.36 2.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.42 -120.87 2.28 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -125.45 163.21 23.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -135.07 104.15 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.862 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.2 mp0 -58.25 -44.98 88.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.16 -40.97 7.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.19 -44.72 80.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 10' ' ' GLU . 8.1 mt -58.98 -51.36 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -47.81 -51.01 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -49.63 -59.84 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.571 HD21 ' HG2' ' A' ' 42' ' ' MET . 12.9 mt -49.03 -51.26 32.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 ' HE3' ' A' ' 23' ' ' MET . 53.2 t -58.64 -38.29 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -37.8 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -69.03 -15.98 63.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.88 56.18 0.63 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -134.35 158.54 74.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -74.95 133.0 16.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.554 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -50.66 -62.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' MET . 15.5 m-20 -40.04 -57.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -53.66 -44.54 69.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' CB ' HG23 ' A' ' 13' ' ' ILE . 61.6 m -60.01 -47.62 85.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -63.33 -31.38 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 29.6 mtmt -63.65 -50.39 69.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.754 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -54.93 -67.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 35' ' ' ASN . 75.3 t -41.24 -55.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -49.62 -66.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 25.1 m-85 -52.73 -30.36 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 29' ' ' ALA . 74.5 p -94.05 24.83 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.74 35.43 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' HA ' HG13 ' A' ' 30' ' ' VAL . 25.6 t30 43.47 60.85 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.73 57.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.86 160.82 36.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.7 -56.23 5.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.88 -55.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.39 -53.03 62.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -49.49 -51.85 33.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.571 ' HG2' HD21 ' A' ' 16' ' ' LEU . 1.3 mtm -47.79 -53.67 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.69 -49.42 5.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 34.2 t90 -55.58 -45.41 77.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.822 HG13 ' CE1' ' A' ' 54' ' ' PHE . 38.8 t -58.4 -72.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -43.28 -26.17 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 45' ' ' VAL . 3.4 m -82.33 -60.31 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.751 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 1.4 m-70 -53.86 -44.48 70.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.477 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 2.4 ppp? -40.69 -27.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 48' ' ' HIS . 86.9 m-20 -45.56 -51.68 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.23 154.05 57.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.24 16.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.4 m-20 -92.3 25.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.822 ' CE1' HG13 ' A' ' 45' ' ' VAL . 10.7 t80 -86.8 -24.09 25.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.87 20.17 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 6.1 m-20 -90.5 157.44 44.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.88 17.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 tp -101.21 144.64 29.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -46.29 151.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.95 155.05 64.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.68 28.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.0 109.64 2.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 p -165.18 -50.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 0.0 109.988 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.53 114.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 171.26 157.65 13.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 66.89 5.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.65 163.64 12.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.87 156.84 47.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.753 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.04 -57.47 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.53 -168.71 41.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 168.44 24.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.2 m -127.22 124.18 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.3 136.64 52.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -49.52 -58.42 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m 61.86 101.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.91 -96.34 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t 59.01 94.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -48.87 145.49 3.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.7 -125.75 5.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -102.13 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.65 107.49 14.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.875 ' HA ' HD12 ' A' ' 13' ' ' ILE . 18.3 pt-20 -69.06 -41.26 77.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -37.93 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG13 ' HA ' ' A' ' 38' ' ' ALA . 23.9 t -70.34 -44.3 77.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.4 mt -60.92 -48.71 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.5 mp -50.76 -49.22 26.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -55.66 -55.38 32.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -51.51 -51.02 58.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG21 ' SD ' ' A' ' 23' ' ' MET . 61.8 t -62.83 -29.92 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.12 -31.24 71.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.2 mtm -75.03 -28.14 60.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.73 49.28 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.1 157.57 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.2 Cg_endo -75.01 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -42.86 -61.8 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -40.21 -53.71 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 54' ' ' PHE . . . -59.54 -43.69 93.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' MET . 56.5 m -60.32 -36.38 77.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -73.5 -24.18 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 30.6 mtmt -70.12 -50.12 43.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.869 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -53.97 -71.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' GLY . 99.4 t -40.24 -55.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' CE2' HD11 ' A' ' 58' ' ' LEU . 32.8 t80 -48.84 -63.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.1 m-85 -53.42 -54.82 31.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 20.7 p -58.13 -25.38 61.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 79.11 45.98 8.56 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 45.2 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.79 -36.63 3.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.59 150.86 5.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -41.73 -62.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.44 -61.03 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -50.05 -53.18 28.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -40.62 -55.06 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -39.81 -59.92 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.869 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 43.0 t90 -45.08 -47.7 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.744 HG13 ' CE1' ' A' ' 54' ' ' PHE . 60.8 t -64.09 -50.65 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.4 mmt -45.71 -27.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -62.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 18.3 m-70 -47.59 -36.97 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.48 -17.37 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.58 39.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.9 152.44 22.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.61 20.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 p-10 -92.59 28.21 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.744 ' CE1' HG13 ' A' ' 45' ' ' VAL . 41.2 t80 -94.05 -22.17 18.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.37 21.16 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 3.1 m-20 -90.91 157.43 43.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.96 36.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 31' ' ' TYR . 47.3 tp -86.38 134.43 33.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.73 121.5 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.74 154.77 83.37 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.08 17.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.13 124.26 31.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.2 p -174.12 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 t 65.51 168.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.006 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.04 81.33 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.07 2.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.793 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.61 126.14 8.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.86 163.5 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.976 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -106.01 125.58 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.68 97.26 1.58 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 125.98 9.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 168.63 9.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.946 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 95.1 p -142.5 147.32 35.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m -40.53 -58.35 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -48.35 143.6 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.72 -130.52 1.74 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -82.21 99.85 9.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.82 96.86 10.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.43 -139.83 7.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HG ' ' CG1' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -106.91 144.11 34.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 112.04 24.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.83 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.5 pt-20 -74.13 -38.84 63.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 6.1 m -46.88 -37.62 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 38' ' ' ALA . 25.6 t -71.71 -47.34 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 10' ' ' GLU . 19.9 mt -56.06 -52.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.44 -55.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.2 -61.1 2.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 mt -47.67 -50.95 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.12 -33.9 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER -61.69 -37.36 83.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -22.81 66.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 47.55 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.07 155.04 71.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.02 124.72 8.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -44.01 -62.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.35 -56.25 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.694 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -59.3 -41.71 89.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.565 ' HB3' HG23 ' A' ' 13' ' ' ILE . 21.2 m -59.19 -41.43 88.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -65.97 -35.51 80.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -56.96 -50.93 71.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.18 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 33' ' ' THR . . . -52.38 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HG ' ' A' ' 8' ' ' LEU . 86.7 t -41.91 -57.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -47.03 -71.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.736 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.0 m-85 -45.86 -56.41 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.855 HG21 ' HA ' ' A' ' 41' ' ' ALA . 51.2 p -58.09 -22.46 50.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.44 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 75.72 39.45 34.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 49.02 89.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -117.87 -37.74 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.059 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.63 156.59 8.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -47.75 -59.94 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.97 -58.22 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.81 -62.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.855 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -54.83 -51.79 64.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.95 -55.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.44 -57.52 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.789 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 80.4 t90 -47.29 -44.63 23.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 48.3 t -67.02 -57.63 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.6 mmt -41.44 -30.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 4.3 m -91.37 -54.19 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.789 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.4 m-70 -52.26 -44.36 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -17.93 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 47' ' ' SER . 7.6 t0 -52.82 -50.22 64.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.58 152.26 44.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 2.6 t0 -92.49 28.11 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.694 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.7 t80 -93.4 -43.13 8.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.78 -34.59 73.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 53' ' ' ASP . 51.6 p-10 -41.33 156.08 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -177.61 3.6 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ILE . 13.3 tp -87.1 118.39 26.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' LEU . 3.4 mt 39.21 89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -41.31 160.23 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.88 10.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.19 -55.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.8 p -140.18 93.83 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 82.1 p -84.07 168.11 16.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.33 97.2 0.08 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -50.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.76 117.44 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.0 t -165.21 143.74 6.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.69 129.13 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.77 95.08 0.41 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 116.1 4.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.74 150.8 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 t 74.24 -70.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -140.83 158.57 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -102.91 155.01 18.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.71 150.7 5.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -159.81 165.61 32.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 0.745 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.5 90.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.37 146.47 4.36 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 31' ' ' TYR . 2.5 mp -74.95 164.19 26.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.57 95.09 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.795 ' HA ' HD12 ' A' ' 13' ' ' ILE . 4.3 mp0 -55.63 -51.77 66.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.01 -41.17 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.68 -47.62 69.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.3 mt -56.05 -49.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.5 mp -50.22 -50.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -51.98 -54.46 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.2 -48.08 77.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 46.4 t -62.25 -28.99 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.7 mm-40 -66.49 -33.99 76.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -19.24 64.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.41 49.79 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -128.99 156.12 78.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.03 126.76 10.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -44.59 -62.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.4 OUTLIER -40.41 -58.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.19 -45.0 64.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.549 ' CB ' HG23 ' A' ' 13' ' ' ILE . 64.2 m -60.34 -46.41 89.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.16 -31.1 72.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 27.5 mtmt -62.66 -53.32 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.774 ' O ' HG23 ' A' ' 33' ' ' THR . . . -53.66 -67.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 35' ' ' ASN . 68.1 t -40.55 -57.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.439 ' HA ' HD11 ' A' ' 8' ' ' LEU . 43.2 t80 -49.68 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 20.3 m-85 -49.55 -34.65 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.9 p -94.55 22.24 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.25 40.48 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' HA ' HG13 ' A' ' 30' ' ' VAL . 43.6 t-20 45.05 84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.5 m -124.28 57.31 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.06 168.69 45.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.01 -53.89 6.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.83 -59.21 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -47.82 -65.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.58 -54.56 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.38 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.85 -56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.01 -56.35 2.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.754 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 34.1 t90 -48.44 -46.4 37.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 ' CE1' ' A' ' 54' ' ' PHE . 59.2 t -64.4 -53.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.3 mmt -43.4 -27.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.03 -63.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.754 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 7.9 m-70 -47.76 -36.79 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.606 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.488 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.54 -17.56 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -94.99 40.21 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.87 153.55 26.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.87 28.01 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE1' HG13 ' A' ' 45' ' ' VAL . 35.9 t80 -88.09 -57.97 2.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.35 -37.75 88.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.45 157.28 0.17 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -166.79 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -99.22 142.98 30.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.656 ' H ' HD12 ' A' ' 59' ' ' ILE . 5.0 mp -53.4 133.25 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mt -118.53 155.01 52.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 91.79 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.74 107.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.39 132.03 52.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -106.88 82.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.53 -166.08 23.96 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.73 9.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.55 138.08 2.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.6 p -117.41 155.09 30.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.049 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -152.46 143.24 22.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.02 119.63 0.49 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.53 27.93 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.565 1.824 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.7 94.76 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.2 161.8 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.979 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 143.89 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -138.71 84.45 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.53 -167.25 38.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -178.93 117.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 109.993 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.31 97.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.07 -122.04 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.579 1.174 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 8' ' ' LEU . 9.8 tp -109.15 148.04 31.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -73.93 93.92 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.69 ' O ' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -62.9 -47.66 82.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.73 -40.13 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.59 -52.35 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 10' ' ' GLU . 11.8 mt -52.52 -49.91 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -48.35 -54.97 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -45.29 -66.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.8 mt -45.0 -51.47 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.65 -41.1 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -38.44 88.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmm -62.99 -23.23 67.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.02 58.8 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -137.01 162.1 57.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 129.63 12.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -50.64 -62.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' MET . 4.1 m-20 -40.18 -55.94 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.753 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -59.61 -41.73 91.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' MET . 19.1 m -58.95 -43.9 91.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -63.45 -35.82 81.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 35.9 mtmt -58.08 -60.13 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 33' ' ' THR . . . -48.89 -62.23 1.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 HG13 ' A' ' 13' ' ' ILE . 55.3 t -49.04 -55.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -50.58 -66.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.699 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.6 m-85 -47.6 -46.42 28.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 29' ' ' ALA . 24.3 p -87.14 14.65 7.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 37.39 53.6 1.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' GLY . 18.1 p30 39.4 53.93 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.4 m -88.76 41.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.39 135.48 7.47 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.74 -58.57 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 -57.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.66 -65.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -40.6 -51.6 2.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.5 ttp -47.45 -54.74 10.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -44.31 -51.21 8.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 47.2 t90 -53.05 -45.43 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 29' ' ' ALA . 72.5 t -62.15 -57.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -47.76 -23.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -29.8 16.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.7 m-70 -84.85 -60.08 2.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.48 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -44.89 -25.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -50.72 -22.79 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.54 155.72 45.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.74 20.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -92.57 28.11 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.753 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 9.0 t80 -91.88 -47.27 7.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.23 67.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -45.99 155.53 0.51 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.01 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -77.31 156.93 31.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.45 128.3 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.6 155.53 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 62.84 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.9 -177.94 49.13 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.3 t -65.99 81.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.51 143.33 26.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.59 -150.18 20.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 62.01 5.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.86 -98.52 0.1 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 -55.69 19.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 0.749 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.2 t 62.67 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.79 -146.83 18.46 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.83 34.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.1 p -158.37 105.9 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.37 153.45 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -164.37 131.64 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 0.731 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 65.22 100.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.59 143.61 10.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -138.81 119.26 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 109.958 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -99.58 -57.26 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.46 -140.23 3.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -91.16 170.57 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -136.45 113.15 10.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.993 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.1 pt-20 -72.11 -38.42 69.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.5 m -48.71 -34.42 11.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.3 t -73.72 -40.24 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.993 HD12 ' HA ' ' A' ' 10' ' ' GLU . 15.8 mt -63.41 -51.17 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -46.44 -54.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -49.84 -61.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 17.7 mt -46.77 -50.01 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.18 -40.24 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -39.57 73.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -22.28 66.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.01 45.11 0.65 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -123.44 154.43 66.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 120.6 6.14 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -41.25 -62.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -40.34 -55.09 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.713 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -60.8 -40.35 92.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.567 ' CB ' HG23 ' A' ' 13' ' ' ILE . 52.8 m -60.35 -41.26 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 8.3 mtp180 -66.9 -32.78 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.631 ' HG2' HD13 ' A' ' 58' ' ' LEU . 29.3 mtmt -60.17 -50.64 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.754 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.26 -68.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG12 ' HG ' ' A' ' 8' ' ' LEU . 62.9 t -40.69 -56.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.636 ' HA ' HD11 ' A' ' 8' ' ' LEU . 40.6 t80 -48.1 -67.66 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -48.81 -38.63 22.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' ALA . 22.9 p -89.89 21.5 3.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' TYR . . . 37.29 38.2 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' HG13 ' A' ' 30' ' ' VAL . 14.8 t30 46.76 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 12.8 m -129.41 55.7 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.39 167.16 43.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.64 -57.29 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -43.25 -57.95 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -51.5 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.79 -56.12 4.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.2 mtm -38.7 -55.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -42.25 -53.88 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 26.7 t90 -51.23 -44.19 61.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 108.018 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 42.1 t -64.24 -48.68 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 mmt -58.33 -23.57 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.85 -22.37 20.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.4 m-70 -92.11 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -39.4 -28.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -44.81 -35.91 2.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.76 152.65 38.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.32 28.09 5.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 6.8 t80 -92.88 -37.96 11.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.19 -16.45 63.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.2 157.38 2.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.14 16.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.631 HD13 ' HG2' ' A' ' 28' ' ' LYS . 14.5 tp -87.35 120.06 28.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.8 mp -41.78 107.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.88 157.5 15.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.81 38.71 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.05 80.0 1.3 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 t 61.08 155.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.3 p -62.95 110.81 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.87 112.22 4.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.02 29.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.15 80.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.1 t -109.06 -58.62 2.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.02 -58.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.87 -158.74 27.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.47 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.439 1.757 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.01 -58.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -126.7 147.24 49.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -114.57 86.5 2.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.048 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.43 -69.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -178.1 -174.07 44.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -173.75 145.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t 48.52 94.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.55 -131.06 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 13' ' ' ILE . 2.7 tp 53.69 173.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -120.42 99.18 6.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HA ' HD12 ' A' ' 13' ' ' ILE . 13.2 mp0 -59.37 -51.42 70.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -39.36 -40.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.63 -50.62 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 10' ' ' GLU . 6.2 mt -53.62 -49.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.9 mp -51.84 -48.59 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.0 -53.89 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 42' ' ' MET . 18.6 mt -58.17 -50.04 74.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.07 -35.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.96 -38.61 67.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.9 mtm -68.15 -9.71 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.59 51.77 1.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -127.51 159.33 66.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.522 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.4 Cg_endo -75.05 141.94 27.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.2 mtp -59.71 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' MET . 16.6 m-20 -39.72 -61.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.737 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -48.8 -46.29 41.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 m -59.96 -50.83 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.316 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -58.31 -39.05 78.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.162 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 28.4 mtmt -52.94 -52.55 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.674 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -52.0 -71.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' GLY . 39.6 t -42.83 -57.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -44.14 -64.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.624 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.0 m-85 -53.01 -55.78 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 14.6 p -58.23 -19.82 36.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.365 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 70.51 53.94 11.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 44.08 91.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.721 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 11.8 m -138.03 44.33 2.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.46 166.72 37.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.91 -53.75 10.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.75 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.492 ' HG3' HD21 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -40.96 -56.01 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 t-20 -40.13 -58.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.8 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 55.8 t90 -46.88 -46.6 21.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.032 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.706 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 49.6 t -64.2 -48.34 86.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.1 mmt -53.13 -23.67 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -47.68 7.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 5.7 m-70 -63.78 -52.43 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -47.2 -23.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.79 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -94.23 28.06 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.737 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 4.6 t80 -95.57 -51.53 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . . . -59.5 -28.41 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' ALA . 30.0 p-10 -40.46 157.31 0.17 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 168.57 24.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.8 141.65 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.95 141.81 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.5 156.3 53.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.43 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -110.52 69.1 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 p -176.22 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.5 133.62 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.54 -154.38 7.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 74.96 3.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.59 -154.83 1.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 t -152.08 168.49 25.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.79 . . . . 0.0 110.048 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -89.83 142.85 27.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.58 84.72 0.19 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.76 133.29 41.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -97.63 152.35 19.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.33 130.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.063 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.51 128.56 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.54 73.08 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.67 155.54 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -124.8 146.18 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.79 -114.35 4.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.148 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -126.97 145.85 50.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.89 107.31 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.818 ' HA ' HD12 ' A' ' 13' ' ' ILE . 20.5 pt-20 -69.24 -38.02 78.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -42.64 -43.26 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 38' ' ' ALA . 25.3 t -68.15 -48.12 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.966 HG23 ' CB ' ' A' ' 26' ' ' CYS . 8.0 mt -56.17 -50.91 68.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.4 mp -48.68 -54.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.43 -50.8 51.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.48 -50.43 73.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.18 -31.29 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -41.52 98.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.6 mtm -59.32 -29.47 67.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.15 52.9 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -130.21 157.77 76.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.78 6.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.97 -57.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.17 -53.72 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.814 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.26 -43.86 83.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.966 ' CB ' HG23 ' A' ' 13' ' ' ILE . 88.6 m -61.65 -42.62 99.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -71.64 -17.48 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 21.8 mtmt -78.3 -57.14 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -47.25 -66.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' GLY . 83.7 t -44.95 -61.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.13 -59.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 29.6 m-85 -57.18 -55.6 32.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 29' ' ' ALA . 31.7 p -59.89 -14.74 16.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 68.28 38.58 87.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 56.18 103.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.2 m -129.62 -45.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.04 159.1 11.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.514 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -51.13 -58.77 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 0.736 . . . . 0.0 109.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.73 -58.63 7.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.28 -53.4 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.51 -53.18 60.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.68 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.29 -57.82 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 28.8 t90 -47.43 -43.82 24.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 54' ' ' PHE . 35.2 t -66.78 -46.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.7 mmt -58.86 -23.49 60.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -90.04 -47.31 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 2.3 m-70 -62.76 -53.11 59.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.4 ptm -40.96 -27.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' HIS . 51.0 t0 -47.82 -31.81 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -101.63 149.22 36.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.53 21.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.456 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 1.3 m-20 -92.48 25.37 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.814 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 7.6 t80 -83.53 -46.38 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.93 84.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 53' ' ' ASP . 1.8 m-20 -40.98 155.64 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.42 6.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.77 150.83 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 59' ' ' ILE . 4.6 mp -68.64 121.89 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -52.81 148.05 14.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.97 83.64 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 64' ' ' SER . . . -82.92 -138.36 3.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 m 67.71 -70.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -54.77 95.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.4 -145.55 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.45 33.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.86 -149.89 14.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.589 1.181 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.3 t 64.2 126.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.9 144.6 34.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.6 158.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 56.7 4.36 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.51 165.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.72 109.42 14.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 137.18 46.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.933 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -57.5 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.73 -129.3 7.43 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.71 150.55 31.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 0.725 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m 55.73 98.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.47 88.89 0.23 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 30' ' ' VAL . 1.2 tp -106.03 168.98 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.64 111.37 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.796 ' HA ' HD12 ' A' ' 13' ' ' ILE . 15.3 pt-20 -60.2 -39.85 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.5 m -45.46 -41.99 10.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -67.74 -53.88 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 10' ' ' GLU . 10.0 mt -47.49 -52.94 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -45.85 -54.71 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -62.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 21.4 mt -51.69 -50.66 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.72 -43.82 56.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -45.17 51.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -54.66 -18.24 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.19 13.2 13.81 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.64 153.52 55.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.96 128.92 11.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -37.9 -64.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -40.06 -57.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 22' ' ' PRO . . . -52.6 -43.49 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' MET . 93.6 m -62.49 -49.89 73.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.271 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -29.76 70.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' HG2' HD13 ' A' ' 58' ' ' LEU . 28.1 mtmt -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.521 ' HB2' HG22 ' A' ' 45' ' ' VAL . . . -55.99 -70.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG12 ' CD1' ' A' ' 8' ' ' LEU . 94.0 t -38.79 -53.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -53.78 -70.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 16.4 m-85 -42.07 -62.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 p -57.13 -26.71 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.21 39.74 12.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 53.51 101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.4 m -146.69 45.27 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.49 168.05 42.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -47.33 -52.02 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 36' ' ' SER . . . -50.48 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 45' ' ' VAL . . . -43.93 -57.53 3.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.464 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 2.0 ttp -37.87 -57.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.15 -59.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 25.8 t90 -46.85 -43.93 19.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 107.977 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.806 HG13 ' CE1' ' A' ' 54' ' ' PHE . 14.0 t -65.27 -50.72 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE2' ' HG2' ' A' ' 42' ' ' MET . 27.9 mmt -52.84 -22.99 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 -62.2 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 44' ' ' TRP . 5.4 m-70 -51.34 -41.16 60.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.482 ' HA ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -40.72 -28.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 48' ' ' HIS . 38.7 t70 -52.81 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.72 146.05 37.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -12.77 21.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.52 28.02 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.806 ' CE1' HG13 ' A' ' 45' ' ' VAL . 9.6 t80 -79.42 -44.2 21.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.87 -26.82 65.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.32 170.42 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.75 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 28' ' ' LYS . 16.1 tp -97.39 141.34 30.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.9 mt 56.99 107.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.567 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -41.5 147.21 0.49 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.551 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.02 -132.32 1.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 t -122.18 76.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -95.4 129.01 42.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -40.17 100.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.01 39.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.4 119.71 3.57 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.9 p -75.66 135.07 40.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.42 112.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.43 157.46 19.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 76.76 3.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.27 84.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.7 t -107.76 -59.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.049 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -177.76 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.92 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.84 -163.55 9.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -80.74 120.18 24.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.98 -59.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.946 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.1 -123.78 5.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -133.25 165.15 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.65 103.87 8.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.87 ' HA ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -64.41 -49.14 72.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.78 -36.36 1.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.47 -51.86 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 10' ' ' GLU . 9.0 mt -52.09 -48.61 41.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.6 mp -50.96 -48.76 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.29 -58.74 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 42' ' ' MET . 21.8 mt -50.75 -51.98 45.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.69 -39.67 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.87 -43.58 73.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.1 mtm -62.22 -20.11 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 57.42 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.38 157.59 77.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -74.98 116.93 4.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -40.6 -61.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 1.3 m-20 -40.32 -50.27 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -64.43 -43.88 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' CB ' HG23 ' A' ' 13' ' ' ILE . 53.9 m -59.3 -30.68 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -34.37 48.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mtmm -59.97 -48.92 79.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 33' ' ' THR . . . -51.86 -69.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLY . 48.9 t -43.11 -58.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -44.32 -71.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 24.8 m-85 -47.23 -57.03 5.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 29' ' ' ALA . 47.2 p -58.93 -15.79 14.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' VAL . . . 66.42 42.0 94.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 52.02 99.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 0.796 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -147.03 41.18 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.38 168.32 41.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.68 -48.68 14.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -61.6 1.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.36 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.667 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -42.58 -52.96 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -45.62 -52.94 9.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.47 -49.32 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.769 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 54.1 t90 -55.19 -44.44 75.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.035 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.526 HG22 ' HB2' ' A' ' 29' ' ' ALA . 39.7 t -59.89 -71.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.402 ' CE ' ' HB ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -46.35 -24.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 m -85.74 -36.24 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.769 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 0.5 OUTLIER -76.55 -53.77 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.442 ' HA ' ' CB ' ' A' ' 54' ' ' PHE . 21.2 ptm -39.21 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' HIS . 27.6 t70 -41.82 -38.72 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.08 154.74 37.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.56 18.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -92.93 28.12 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.641 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 11.1 t80 -89.86 -42.96 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.7 -33.13 72.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 51.2 p-10 -40.64 156.74 0.19 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.38 14.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.49 1.784 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -96.8 130.95 43.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -41.49 131.98 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.53 154.87 52.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.38 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -152.66 -68.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -98.39 103.69 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 p -62.26 157.73 18.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -98.2 -166.47 31.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -44.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 41.17 61.64 1.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -154.76 96.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.99 168.97 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.75 117.36 11.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 72.67 4.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.2 m -88.94 84.85 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.2 p -163.19 146.19 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m 64.01 131.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.26 -58.36 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.957 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.46 -74.45 0.81 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -127.75 145.23 50.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -55.67 171.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.93 -158.78 26.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.16 166.99 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.4 115.47 15.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 14' ' ' ILE . 12.0 pt-20 -69.88 -39.66 76.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 1.7 m -46.62 -35.58 6.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 38' ' ' ALA . 24.3 t -75.02 -45.9 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.614 HG23 ' HB3' ' A' ' 26' ' ' CYS . 43.2 mt -62.24 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.3 mp -39.49 -56.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -48.67 -63.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.67 -49.21 14.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG11 ' HE3' ' A' ' 23' ' ' MET . 10.9 t -59.3 -43.24 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.63 -39.11 73.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.5 mtm -63.38 -18.42 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.46 56.79 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -135.29 159.29 72.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -75.0 137.42 21.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.419 1.747 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.511 ' HE3' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -52.49 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' MET . 41.0 m-20 -40.24 -65.9 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -45.79 -48.07 15.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.614 ' HB3' HG23 ' A' ' 13' ' ' ILE . 17.1 m -58.04 -42.62 85.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' MET . 0.3 OUTLIER -65.49 -35.1 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' HG2' HD13 ' A' ' 58' ' ' LEU . 30.6 mtmt -60.02 -54.5 45.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 33' ' ' THR . . . -51.88 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' A' ' 35' ' ' ASN . 79.3 t -40.19 -56.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -51.85 -65.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 13.2 m-85 -49.9 -34.12 19.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 29' ' ' ALA . 30.0 p -92.15 24.28 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.37 40.03 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.41 ' HA ' HG13 ' A' ' 30' ' ' VAL . 29.5 t30 44.06 56.67 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -47.58 48.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.68 160.65 23.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.627 ' HA ' HG13 ' A' ' 12' ' ' VAL . . . -55.36 -54.15 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -58.59 7.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.83 -63.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -45.16 -52.81 8.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -39.47 -55.03 1.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.59 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.804 ' CE3' ' HB2' ' A' ' 29' ' ' ALA . 29.9 t90 -49.78 -44.29 48.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.653 HG13 ' CZ ' ' A' ' 54' ' ' PHE . 42.0 t -65.18 -47.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.7 mmt -56.17 -23.69 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.8 -37.59 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.019 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.799 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 4.7 m-70 -75.43 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.601 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 4.7 ptm -40.81 -28.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' HIS . 42.3 t0 -51.84 -36.74 49.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.79 153.5 37.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.791 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.93 28.1 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.71 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 5.4 t80 -96.79 -24.85 15.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.0 14.16 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.05 157.38 71.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.39 27.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 28' ' ' LYS . 9.5 tp -92.17 129.15 38.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER 71.13 137.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -47.67 154.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.26 -61.19 6.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.6 p 53.37 172.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 71.3 m 58.47 96.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -120.33 96.62 0.62 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 75.41 3.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.423 1.749 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 119.54 127.1 3.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.6 p -135.56 151.19 50.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.7 p 56.78 170.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.55 81.54 1.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.4 26.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.1 145.31 30.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -133.91 -59.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 p -51.85 152.73 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.59 -59.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.75 -61.5 0.48 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.57 79.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.07 101.88 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.95 -150.17 9.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.09 173.51 11.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.81 114.23 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.967 ' HA ' HD12 ' A' ' 13' ' ' ILE . 11.5 pt-20 -69.55 -44.06 71.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 m -43.15 -36.9 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.9 t -73.03 -51.57 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.967 HD12 ' HA ' ' A' ' 10' ' ' GLU . 7.8 mt -51.79 -47.11 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.78 HD12 ' O ' ' A' ' 10' ' ' GLU . 1.7 mp -53.24 -50.17 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.47 -52.42 38.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 45' ' ' VAL . 9.5 mt -59.58 -47.46 85.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 23' ' ' MET . 42.5 t -60.27 -29.75 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -18.06 64.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.11 44.01 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -121.5 154.55 59.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -75.02 122.71 7.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.404 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -37.71 -63.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MET . 3.4 m-20 -40.21 -57.25 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB1' ' CE1' ' A' ' 54' ' ' PHE . . . -57.17 -43.33 82.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.613 ' HB3' HG23 ' A' ' 13' ' ' ILE . 23.2 m -58.37 -45.0 89.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -63.69 -37.19 86.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 33.2 mtmt -55.34 -50.99 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 33' ' ' THR . . . -54.91 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 35' ' ' ASN . 87.1 t -40.34 -55.37 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -50.44 -67.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.64 ' CD2' ' CZ2' ' A' ' 44' ' ' TRP . 22.3 m-85 -48.81 -37.1 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 25.6 p -90.04 22.61 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' THR . . . 36.88 41.37 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HA ' HG13 ' A' ' 30' ' ' VAL . 18.1 t30 40.52 70.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -112.08 52.8 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.97 164.69 40.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.16 -58.81 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.18 -54.08 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.41 -57.11 14.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -48.59 -55.81 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -37.96 -57.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' MET . 0.7 OUTLIER -40.06 -56.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.773 ' CZ2' ' CE1' ' A' ' 48' ' ' HIS . 46.6 t90 -48.6 -47.5 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 16' ' ' LEU . 12.7 t -56.05 -68.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -48.12 -22.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.43 -31.33 18.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.773 ' CE1' ' CZ2' ' A' ' 44' ' ' TRP . 1.3 m-70 -88.36 -61.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.89 -28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -49.32 -29.68 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.03 161.44 30.99 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.76 8.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -93.88 28.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.617 ' CE1' ' HB1' ' A' ' 25' ' ' ALA . 14.6 t80 -106.15 -42.83 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.08 -33.96 74.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.6 157.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.29 18.62 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HG ' HD12 ' A' ' 59' ' ' ILE . 24.1 tp -82.91 132.45 35.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.712 HD12 ' HG ' ' A' ' 58' ' ' LEU . 1.2 mt 59.88 154.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.583 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -116.49 147.31 39.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.568 ' N ' HD12 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 88.64 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.39 -67.54 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.3 p 60.99 107.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.963 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.17 101.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.7 -73.73 0.03 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.25 105.77 3.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.8 p -177.98 137.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.9 -59.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.94 -145.51 15.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.53 12.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -60.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.09 109.6 14.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.996 . . . . . . . . 0 0 . 1 stop_ save_